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 |