6QG7
Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine 1k
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 | 2016-03-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.400, 65.800, 86.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.092 - 2.100 |
R-factor | 0.2361 |
Rwork | 0.234 |
R-free | 0.26790 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.701 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmeas | 0.129 | 0.859 |
Number of reflections | 23272 | 3038 |
<I/σ(I)> | 13.21 | 2.03 |
Completeness [%] | 99.7 | 97.6 |
Redundancy | 11.64 | 6.97 |
CC(1/2) | 0.999 | 0.134 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 M Sodiumcitrate 20% PEG3350 |