2ZB1
Crystal structure of P38 in complex with biphenyl amide inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-05-19 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.570, 86.106, 124.362 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.172 |
Rwork | 0.169 |
R-free | 0.23900 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.444 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.3.0006) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.096 | 0.427 |
Number of reflections | 15373 | |
<I/σ(I)> | 12.2 | 1.7 |
Completeness [%] | 87.0 | 77.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |