Hen egg-white lysozyme MX radiation damage series at different pH values

# Hen egg-white lysozyme MX radiation damage series at different pH values ## Description A series of MX radiation damage datasets collected on four hen egg-white lysozyme (HEWL)crystals at 100 K, grown at different pH values in two different buffer systems,to investigate the effect of pH on site-specific radiation damage.Data were collected at the ALBA synchrotron, beamline BL13-XALOC, in 2021 and 2022. Buffer system A was composed of succinic acid, sodium dihydrogen phosphate, and glycinein a 2:7:7 molar ratio.Buffer system B was composed of sodium propionate, sodium cacodylate, and bis-Tris propanein a 2:1:2 molar ratio. Please refer to the associated publication for full details of data collection and processing. --- ## Crystals ### XA-4.5 (b3x11)Crystal grown in buffer system A at pH 4.5.PDB accession code: 36mg. ### XA-9.5 (b3x14)Crystal grown in buffer system A at pH 9.5.PDB accession code: 36mh. ### XB-4.0 (b2x01)Crystal grown in buffer system B at pH 4.0.PDB accession code: 36md. ### XB-9.5 (b2x04)Crystal grown in buffer system B at pH 9.5.PDB accession code: 36mf. --- ## Contents For each crystal, the following files are provided: (a) A refined coordinate model (PDB format) from the first dataset in the damage series,used as the reference model for all subsequent datasets. (b) A series of merged MTZ-format structure amplitude files corresponding to thedose-matched data points used for structural comparisons, as described in Table 2of the associated publication. Doses and corresponding datasets are listed below. ### XA-4.5 (b3x11) - dose-matched data points| File | ADWD (MGy) ||-----------------|------------|| b3x11_01.mtz | 0.51 || b3x11_03.mtz | 2.11 || b3x11_05.mtz | 3.70 || b3x11_07.mtz | 5.30 | ### XA-9.5 (b3x14) - dose-matched data points| File | ADWD (MGy) ||-----------------|------------|| b3x14_01.mtz | 0.36 || b3x14_04.mtz | 2.13 || b3x14_07.mtz | 3.91 || b3x14_09.mtz | 5.10 | ### XB-4.0 (b2x01) - dose-matched data points| File | ADWD (MGy) ||-------------------|------------|| b2x01_0420.mtz | 8.49 || b2x01_0660.mtz | 11.25 || b2x01_0840.mtz | 13.35 || b2x01_0960.mtz | 15.49 | ### XB-9.5 (b2x04) - dose-matched data points| File | ADWD (MGy) ||-------------------|------------|| b2x04_0720.mtz | 8.55 || b2x04_0960.mtz | 11.11 || b2x04_1140.mtz | 13.36 || b2x04_1320.mtz | 15.55 | --- ## Notes ADWD: Average Diffraction Weighted Dose, estimated with RADDOSE-3D.MTZ files contain merged structure amplitudes output from AUTOPROC/XSCALE.The reference PDB models were refined with phenix.refine.