3QUD
Human p38 MAP Kinase in Complex with 2-amino-phenylamino-benzophenone
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 | 2011-02-15 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.779, 73.368, 79.591 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.960 - 2.000 |
| R-factor | 0.2335 |
| Rwork | 0.232 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zyj |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.294 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.100 | |
| High resolution limit [Å] | 2.000 | 16.000 | 2.000 |
| Rmerge | 0.057 | 0.019 | 0.434 |
| Rmeas | 0.023 | 0.495 | |
| Number of reflections | 26734 | 64 | 3596 |
| <I/σ(I)> | 19.1 | 58.41 | 3.7 |
| Completeness [%] | 98.8 | 90.1 | 99.4 |
| Redundancy | 4.13 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 100 mM MES, 20-30% PEG 4000, 50mM n-BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
