4B99
Crystal Structure of MAPK7 (ERK5) with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-22 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 95.150, 95.150, 119.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.420 - 2.800 |
| R-factor | 0.22503 |
| Rwork | 0.222 |
| R-free | 0.28662 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gc9 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.185 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.420 | 2.990 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.090 | 0.710 |
| Number of reflections | 13868 | |
| <I/σ(I)> | 10.5 | 2.4 |
| Completeness [%] | 98.9 | 99.2 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 0.05M CACL2, 0.1M MES PH 6.0, 20% PEG 6000, 10% ETHYLENE GLYCOL |
