3HLL
Crystal Structure of Human p38alpha complexed with PH-797804
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2002-08-14 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.114, 74.645, 77.066 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.240 - 1.950 |
R-factor | 0.21909 |
Rwork | 0.217 |
R-free | 0.25420 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.053 | 0.502 |
Number of reflections | 27860 | |
<I/σ(I)> | 38.7 | 2.9 |
Completeness [%] | 100.0 | 99.2 |
Redundancy | 6.9 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 20-30% PEG3000, 10 mM CaCl2, 50 mM CHES, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |