6QFT
Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidin 1b
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 | 2014-08-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.5 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.400, 67.100, 85.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.235 - 2.700 |
R-factor | 0.2396 |
Rwork | 0.236 |
R-free | 0.28690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dyl |
RMSD bond length | 0.002 |
RMSD bond angle | 0.656 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.235 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmeas | 0.096 | 0.953 |
Number of reflections | 9940 | 997 |
<I/σ(I)> | 16.5 | 2.15 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.3 | 6.5 |
CC(1/2) | 0.999 | 0.885 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 M Sodiumcitrate 20% PEG3350 |