3P5K
P38 inhibitor-bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Detector technology | CCD |
Collection date | 2004-03-28 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00935 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.950, 71.080, 75.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.560 - 2.090 |
R-factor | 0.21381 |
Rwork | 0.210 |
R-free | 0.26531 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.023 |
RMSD bond angle | 1.979 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 24.560 |
High resolution limit [Å] | 2.090 |
Number of reflections | 22196 |
Completeness [%] | 99.7 |
Redundancy | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 10-20%PEG4000, 0.1M cacodylic acid, 50 mM n-octyl-D-glucoside, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.0 |