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 |
