5Z1D
MAP2K7 C276S mutant-inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2017-12-17 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.584, 63.827, 88.458 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.760 - 2.280 |
| R-factor | 0.19544 |
| Rwork | 0.192 |
| R-free | 0.25806 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5y90 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.731 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.800 | 2.360 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Number of reflections | 14635 | |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 98.8 | |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG 3350, sodium citrate |
