3IW7
Human p38 MAP Kinase in Complex with an Imidazo-pyridine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-05-29 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.54170 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.670, 70.100, 74.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.040 - 2.400 |
R-factor | 0.203 |
Rwork | 0.198 |
R-free | 0.28200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zyj |
RMSD bond length | 0.013 |
RMSD bond angle | 1.454 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (1.3.1) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.048 | 0.251 |
Number of reflections | 14316 | 1592 |
<I/σ(I)> | 25.61 | 6 |
Completeness [%] | 98.6 | 97.8 |
Redundancy | 3.95 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100mM MES, 20-30% PEG 4000, 50mM n-BOG, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |