7B94
MEK1 in complex with compound 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.280, 71.750, 157.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.900 - 2.000 |
R-factor | 0.218 |
Rwork | 0.216 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e8n |
RMSD bond length | 0.010 |
RMSD bond angle | 1.200 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.900 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.064 | 0.760 |
Number of reflections | 43278 | 13748 |
<I/σ(I)> | 15.3 | 2.1 |
Completeness [%] | 99.9 | 97.2 |
Redundancy | 6.2 | 6.3 |
CC(1/2) | 0.990 | 0.860 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Crystals were obtained from hanging drops by mixing a 1:1 ratio of protein solution with well solution containing 2 M AmSO4, 0.1 M NaCl and 0.1 M Bis-tris pH 6.1-6.2 |