3C5U
P38 ALPHA map kinase complexed with a benzothiazole based inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 32-ID |
Synchrotron site | APS |
Beamline | 32-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-03-29 |
Detector | MARRESEARCH |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 80.400, 80.400, 225.323 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.260 - 2.800 |
R-factor | 0.2625 |
Rwork | 0.261 |
R-free | 0.29590 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.763 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | BUSTER-TNT (2.1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.098 | 0.585 |
Number of reflections | 17473 | |
<I/σ(I)> | 16.4 | 1.5 |
Completeness [%] | 91.7 | 51.2 |
Redundancy | 7.6 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |