4G34
Crystal Structure of GSK6924 Bound to PERK (R587-R1092, delete A660-T867) at 2.70 A Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-05 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 101.460, 101.460, 158.312 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.239 - 2.700 |
R-factor | 0.21049 |
Rwork | 0.208 |
R-free | 0.25762 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a19 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.125 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.239 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.092 | 0.584 |
Number of reflections | 13061 | |
<I/σ(I)> | 32.5 | 5.67 |
Completeness [%] | 100.0 | 100 |
Redundancy | 20.8 | 19.4 |
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 |