6DWS
Crystal structure of human GRP78 in complex with (2R,3R,4S,5R)-2-(6-amino-8-((2-chlorobenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Experimental procedure
Experimental method | LAUE |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.69 - 1.9 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.916, 74.611, 86.848 |
Unit cell angles | 90.00, 98.10, 90.00 |
Refinement procedure
Resolution | 27.820 - 1.900 |
R-factor | 0.215 |
Rwork | 0.213 |
R-free | 0.24800 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | BUSTER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 54507 | |
<I/σ(I)> | 19.75 | |
Completeness [%] | 99.4 | |
Redundancy | 4.43 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298.15 | 24 to 26% PEG 3350, 0.1 M Tris-HCl and 0.2 M NaCl (by microseeding with the initial crystals from 0.1 M Tris- HCl pH 8.5, 25% PEG 3350 and 0.1 M Na/K tartrate) |