6QHR
Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine 1m
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 | 2014-10-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00001 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.100, 69.000, 84.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.159 - 2.520 |
R-factor | 0.2409 |
Rwork | 0.237 |
R-free | 0.29380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dyl |
RMSD bond length | 0.003 |
RMSD bond angle | 0.687 |
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] | 46.159 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmeas | 0.420 | 0.960 |
Number of reflections | 14025 | 1642 |
<I/σ(I)> | 4.82 | 2.42 |
Completeness [%] | 94.8 | 98.3 |
Redundancy | 12.5 | 12.6 |
CC(1/2) | 0.912 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 M Sodiumcitrate 20% PEG3350 |