6ZYH
Crystal structure of GRP78 (70kDa heat shock protein 5 / BiP) ATPase domain in complex with ADP and calcium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-24 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97628 |
Spacegroup name | P 1 |
Unit cell lengths | 48.359, 51.862, 93.082 |
Unit cell angles | 78.07, 86.72, 62.28 |
Refinement procedure
Resolution | 29.130 - 1.880 |
R-factor | 0.2097 |
Rwork | 0.209 |
R-free | 0.22490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3iuc |
RMSD bond length | 0.002 |
RMSD bond angle | 1.163 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.140 | 1.920 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.063 | 0.989 |
Number of reflections | 62200 | 3792 |
<I/σ(I)> | 18.2 | |
Completeness [%] | 97.4 | |
Redundancy | 8.9 | |
CC(1/2) | 0.999 | 0.669 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 26% PEG6000, 0.2M CaCl2, 0.1MNaOAc Ph5 |