3PG3
Human p38 MAP Kinase in Complex with RL182
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 | 2010-08-22 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.040000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.110, 69.970, 74.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 2.000 |
| R-factor | 0.2212 |
| Rwork | 0.220 |
| R-free | 0.26110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zyj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.176 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
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 | 0.060 | 0.025 | 0.417 |
| Number of reflections | 24719 | 59 | 3280 |
| <I/σ(I)> | 19.82 | 45.9 | 4.9 |
| Completeness [%] | 98.7 | 88.1 | 98.3 |
| Redundancy | 4.36 | 4.55 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 100 mM MES, 20-30% PEG4000, 50 mM n-BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
