Diffraction Images Of Crystals Of The Spectrin Repeats 7 And 8 (Sr7-Sr8) Of The Plakin Domain Of Human Plectin (Pdb Code 5J1G): Native And Hg-Derivative Datasets For Phasing By Siras

Diffraction images of crystals of a fragment of the plakin domain of human plectin that includes the spectrin repeats 7 to 8 (SR7-SR8). Images correspond to the dataset used to solve and refine the pdb entry <strong>5J1G</strong> (http://www.rcsb.org/pdb/explore/explore.do?structureId=5J1G). The structure was phase by single isomorphous replacement with anomalous scattering (SIRAS) using two datasets: one from a native crystal and another one from a crystal derivatized with the mercurial compound ethylmercurithiosalicylate (EMTS). The <strong>Native dataset</strong> was collected on a single crystal at the beamline XALOC of the ALBA Synchrotron (Barcelona, Spain) using radiation of 0.9792 Å wavelength and a PILATUS 6M detector. The dataset consists of 4 wedges of 450 images each (0.2º oscillation per image). Each wedge was collected at a different position of the same crystal. The crystals belong to the space group P2₁ with approximate cell dimensions <em>a</em>=45.7 Å, <em>b</em>=115.9 Å, <em>c</em>=64.8 Å, beta=97.6 º. The data from a <strong>mercurial derivative</strong> (EMTS) was collected in house using a rotating anode X-ray generator (wavelength 1.54179 Å) and a mar345 image plate detector. The dataset consists of 360 images (1º oscillation per image). The crystal was isomorphic to the native crystal. In addition to the diffraction images the following files are included: a) Files for indexing with the program XDS and the HKL files containing the integrated intensities. b) Files for scaling using the program xscale (directory XSCALE_5J1G_Native_EMTS).<br> c) The directory “phasing_shelx” contains hkl files of the intensities of the native and EMTS datasets in a format suitable for analysis with Shelx. This directory also contains the files of the phasing by SIRAS using Shelx C/D/E.本数据集包含人网蛋白（plectin）桥粒斑蛋白结构域（plakin domain）中包含血影蛋白重复序列7至8（SR7-SR8）的片段的晶体衍射图像。 该图像数据集对应用于解析并精修蛋白质数据银行（Protein Data Bank, PDB）条目5J1G的实验数据（http://www.rcsb.org/pdb/explore/explore.do?structureId=5J1G）。 该结构通过单同晶置换结合反常散射（Single Isomorphous Replacement with Anomalous Scattering, SIRAS）方法完成相位解析，共使用两组实验数据集：一组来自天然晶体，另一组来自经汞类化合物乙基汞硫代水杨酸盐（ethylmercurithiosalicylate, EMTS）衍生的晶体。 **天然数据集**采集自西班牙巴塞罗那ALBA同步辐射光源的XALOC光束线站的单颗晶体，使用波长为0.9792 Å的X射线辐射与PILATUS 6M探测器。该数据集包含4组楔形数据，每组含450张衍射图像（每张图像的振荡角度为0.2°），每组楔形数据均采集自同一晶体的不同位置。该晶体所属空间群为P2₁，近似晶胞参数为a=45.7 Å、b=115.9 Å、c=64.8 Å，β=97.6°。 **汞衍生数据集（EMTS）**采集于实验室内部，使用旋转阳极X射线发生器（波长1.54179 Å）与mar345图像板探测器。该数据集包含360张衍射图像（每张图像的振荡角度为1°），其对应晶体与天然晶体为同晶型晶体。 除衍射图像外，本数据集还包含以下文件： a) 用于XDS程序进行指数标定的文件，以及包含积分强度的HKL格式文件。 b) 用于xscale程序进行数据标化的文件（存放于目录XSCALE_5J1G_Native_EMTS中）。 c) 目录“phasing_shelx”内包含适配Shelx软件分析格式的天然数据集与EMTS数据集的强度HKL文件，同时还包含利用Shelx C/D/E软件通过SIRAS方法完成相位解析的相关文件。