7OVJ
Protein kinase MKK7 in complex with difluoro-phenethyltriazole-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 | 2020-11-20 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9197 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.050, 68.800, 83.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.660 - 2.350 |
R-factor | 0.2038 |
Rwork | 0.202 |
R-free | 0.24450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qfl |
RMSD bond length | 0.001 |
RMSD bond angle | 0.448 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.400 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmeas | 0.007 | 0.942 |
Number of reflections | 15135 | 894 |
<I/σ(I)> | 23.3 | 3.21 |
Completeness [%] | 100.0 | |
Redundancy | 13.22 | |
CC(1/2) | 0.990 | 0.880 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 180-220 mM sodium citrate, 15-25 % PEG3350 |