4G31
Crystal Structure of GSK6414 Bound to PERK (R587-R1092, delete A660-T867) at 2.28 A Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-08-18 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 101.119, 101.119, 158.831 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.650 - 2.280 |
R-factor | 0.2048 |
Rwork | 0.204 |
R-free | 0.24230 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.989 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (Phenix) |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.370 |
High resolution limit [Å] | 2.280 | 2.280 |
Rmerge | 0.060 | 0.395 |
Number of reflections | 22515 | |
<I/σ(I)> | 8.71 | |
Completeness [%] | 99.7 | 100 |
Redundancy | 14.5 | 15.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 100 mM BTP, pH 7.0, 3.5-4.9 M linear gradient of ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K |