7OVK
Protein kinase MKK7 in complex with 5-bromo-2-hydroxyphenyl-substituted pyrazolopyrimidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-08-31 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.080, 68.090, 85.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.470 - 2.050 |
R-factor | 0.2167 |
Rwork | 0.215 |
R-free | 0.24440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qfl |
RMSD bond length | 0.002 |
RMSD bond angle | 0.422 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.150 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmeas | 0.069 | 1.281 |
Number of reflections | 22885 | 2987 |
<I/σ(I)> | 19.69 | 2.23 |
Completeness [%] | 100.0 | |
Redundancy | 13.37 | |
CC(1/2) | 0.990 | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 180-220 mM sodium citrate, 15-25% PEG3350 |