3ZYA
Human p38 MAP Kinase in Complex with 2-amino-phenylamino- dibenzosuberone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2007-08-27 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.155, 51.863, 167.881 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.121 - 1.900 |
R-factor | 0.1725 |
Rwork | 0.171 |
R-free | 0.20880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1P38 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.084 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.000 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.050 | 0.650 |
Number of reflections | 67368 | |
<I/σ(I)> | 12.32 | 1.87 |
Completeness [%] | 99.2 | 99.1 |
Redundancy | 2.8 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 100 MM HEPES (PH 7.4), 20 % PEG 8000, 1 MM MGCL2 |