3UVQ
Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative
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 | 2011-02-14 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.099, 74.289, 77.727 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.390 - 2.200 |
| R-factor | 0.2405 |
| Rwork | 0.236 |
| R-free | 0.31820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zyj |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.545 |
| Data scaling software | XSCALE |
| Phasing software | PHASER (1.3.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.390 | 49.390 | 2.300 |
| High resolution limit [Å] | 2.200 | 16.000 | 2.200 |
| Rmerge | 0.025 | 0.013 | 0.368 |
| Rmeas | 0.016 | 0.408 | |
| Number of reflections | 19971 | 67 | 2456 |
| <I/σ(I)> | 33.23 | 93.6 | 5.15 |
| Completeness [%] | 99.7 | 94.4 | 100 |
| Redundancy | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293 | 100mM MES, 24 % PEG 4000, 50mM n-BOG, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
