3ZSH
X-ray structure of p38alpha bound to SCIO-469
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-09-13 |
| Detector | RIGAKU-MSC R-AXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.720, 70.080, 74.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.150 - 2.050 |
| R-factor | 0.20793 |
| Rwork | 0.205 |
| R-free | 0.25513 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.309 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.940 | 2.040 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.100 | 0.940 |
| Number of reflections | 27241 | |
| <I/σ(I)> | 10.4 | 1.6 |
| Completeness [%] | 99.2 | 96.6 |
| Redundancy | 4.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
