3UVP
Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2011-03-20 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.978600 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.000, 68.800, 74.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.630 - 2.400 |
| R-factor | 0.2197 |
| Rwork | 0.215 |
| R-free | 0.29740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zyj |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.488 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.630 | 48.630 | 2.500 |
| High resolution limit [Å] | 2.400 | 16.000 | 2.400 |
| Rmerge | 0.075 | 0.032 | 0.438 |
| Rmeas | 0.037 | 0.495 | |
| Number of reflections | 13405 | 60 | 1500 |
| <I/σ(I)> | 15.43 | 40.24 | 3.95 |
| Completeness [%] | 99.8 | 98.4 | 99.6 |
| Redundancy | 5.18 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 100mM MES, 25% PEG 4000, 50mM n-BOG, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
