5O4P
Crystal structure of AMPylated GRP78
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-30 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.975 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.330, 118.650, 83.150 |
Unit cell angles | 90.00, 96.89, 90.00 |
Refinement procedure
Resolution | 67.760 - 1.860 |
R-factor | 0.19526 |
Rwork | 0.194 |
R-free | 0.21210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3iuc |
RMSD bond length | 0.007 |
RMSD bond angle | 1.261 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.760 | 1.910 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.107 | 0.989 |
Number of reflections | 104104 | 109534 |
<I/σ(I)> | 9.6 | 1.4 |
Completeness [%] | 99.4 | 99.1 |
Redundancy | 3.4 | 3.5 |
CC(1/2) | 0.995 | 0.533 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.5M Lithium Sulfate, 0.1M HEPES pH7.5 |