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 |
