Exploring the Chemical Space of Glycosylation in Noncovalent Protein Complexes: an Expedition along Different Structural Levels of Human Chorionic Gonadotropin Employing Mass Spectrometry

<strong>Supplementary files for "Exploring the Chemical Space of Glycosylation in Noncovalent Protein Complexes: an Expedition along Different Structural Levels of Human Chorionic Gonadotropin Employing Mass Spectrometry"</strong> <strong>Introduction</strong> This data repository contains all previously unpublished raw data files for the manuscript “Exploring the Chemical Space of Glycosylation in Noncovalent Protein Complexes: an Expedition along Different Structural Levels of Human Chorionic Gonadotropin Employing Mass Spectrometry” by Maximilian Lebede^||, Fiammetta Di Marco^||, Wolfgang Esser-Skala, René Hennig, Therese Wohlschlager, Christian G. Huber. <strong>Files</strong> This repository contains 9 files: <strong>Dimer Raw Files.zip</strong> folder containing 4 files of native-MS data (*.raw, Thermo RAW file format) of two batches of the drug product Ovitrelle® at native dimer level. <strong>H11M9 Ovitrelle BA056714 Glycopeptide R1 230920_07.zip</strong> folder containing 1 file of HPLC-MS/MS glycopeptide data (*.raw, Thermo RAW file format) of one batch of the drug product Ovitrelle®. <strong>H11M9 Ovitrelle BA056714 Glycopeptide R2 230920_08.zip</strong> folder containing 1 file of HPLC-MS/MS glycopeptide data (*.raw, Thermo RAW file format) of one batch of the drug product Ovitrelle®. <strong>H11M9 Ovitrelle BA056714 Glycopeptide R3 230920_09.zip</strong> folder containing 1 file of HPLC-MS/MS glycopeptide data (*.raw, Thermo RAW file format) of one batch of the drug product Ovitrelle®. <strong>H11M9 Ovitrelle BA059433 Glycopeptide R1 240920_15.zip</strong> folder containing 1 file of HPLC-MS/MS glycopeptide data (*.raw, Thermo RAW file format) of one batch of the drug product Ovitrelle®. <strong>H11M9 Ovitrelle BA059433 Glycopeptide R2 240920_16.zip</strong> folder containing 1 file of HPLC-MS/MS glycopeptide data (*.raw, Thermo RAW file format) of one batch of the drug product Ovitrelle®. <strong>H11M9 Ovitrelle BA059433 Glycopeptide R3 240920_17.zip</strong> folder containing 1 file of HPLC-MS/MS glycopeptide data (*.raw, Thermo RAW file format) of one batch of the drug product Ovitrelle®. <strong>MoFi Settings.zip</strong> folder containing 12 files of MoFi settings (*.xml) to annotate deconvoluted spectra of hCG subunits and dimer of two Ovitrelle® batches, untreated and after desialylation. A typical MoFi setting file is build from protein sequence (*.FASTA), monosaccharide and frequent modification atomic composition (*.csv), glycan or glycoform library (*.csv) and deconvoluted spectrum in centroid (*.csv). Files are named as following: Settings_Ovitrelle_Batch number (BA056714 or BA059433)_Structural level (Alpha, Beta or Dimer)_Enzymatic treatement (Untreated or Sialidase). <strong>Subunit Raw Files.zip</strong> folder containing 8 files of HPLC-MS data (*.raw, Thermo RAW file format) of two batches of the drug product Ovitrelle® at intact subunit level. Raw files are named as following: Instrument, Drug product (Ovitrelle), Batch number (BA056714 or BA059433), Structural level (Dimer, Subunits or Glycopeptides), Enzymatic treatment (untreated, Sialidase, PNGase F or PNGase F + Sialidase) and date. Glycopeptide data includes 3 replicates (R1-3). <strong>License</strong> This work is licensed under the Creative Commons Attribution 4.0 International License. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ .