4A9Y
P38ALPHA MAP KINASE BOUND TO CMPD 8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-10-07 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.332, 75.840, 78.112 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.21961 |
Rwork | 0.218 |
R-free | 0.24970 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.447 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.17) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.280 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.040 | 0.360 |
Number of reflections | 20591 | |
<I/σ(I)> | 15.7 | 2 |
Completeness [%] | 87.5 | 87.5 |
Redundancy | 2.4 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 6-10% PEG-MME 5000, PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |