5OMG
p38alpha in complex with pyrazolobenzothiazine inhibitor COXP4M12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2015-05-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00009 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.820, 74.960, 78.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.140 - 2.000 |
R-factor | 0.18562 |
Rwork | 0.182 |
R-free | 0.24519 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.885 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmeas | 0.089 | 0.942 |
Number of reflections | 26010 | |
<I/σ(I)> | 20.71 | 3.12 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.1 | 13.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 100 mM MES pH 5.6-6.2, 20-30 % PEG4000, 50 mM BOG |