3IW8
Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2008-09-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.976416 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.370, 69.840, 74.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| R-factor | 0.22 |
| Rwork | 0.217 |
| R-free | 0.29800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zyj |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.484 |
| 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] | 40.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.044 | 0.381 |
| Number of reflections | 24384 | 3236 |
| <I/σ(I)> | 22.41 | 4.5 |
| Completeness [%] | 98.3 | 97.8 |
| Redundancy | 4.11 | 4.18 |
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 |
