4M7I
Crystal Structure of GSK6157 Bound to PERK (R587-R1092, delete A660-T867) at 2.34A 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 | 2010-10-20 |
| Detector | RAYONIX MX300HS |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 101.060, 101.060, 158.028 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.324 - 2.340 |
| R-factor | 0.2095 |
| Rwork | 0.207 |
| R-free | 0.28160 |
| Structure solution method | Difference density |
| Starting model (for MR) | 4g31 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.012 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX ((phenix.refine: dev_551)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 2.420 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.050 | 0.408 |
| Number of reflections | 20779 | |
| <I/σ(I)> | 44.5 | 6.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 11.8 | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 100 mM BTP at pH 7.0 with a 3.5 4.9M linear gradient of ammonium acetate , VAPOR DIFFUSION, HANGING DROP, temperature 277K |
