7OVI
Protein kinase MKK7 in complex with 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 | 2020-08-31 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.720, 68.490, 83.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.740 - 1.950 |
R-factor | 0.2112 |
Rwork | 0.209 |
R-free | 0.25040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qfl |
RMSD bond length | 0.009 |
RMSD bond angle | 0.945 |
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 | 2.050 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmeas | 0.052 | 1.573 |
Number of reflections | 26469 | 3647 |
<I/σ(I)> | 23.53 | 1.55 |
Completeness [%] | 99.5 | |
Redundancy | 13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 180-220 mM sodium citrate, 15-25 % PEG3350 |