4AA4
P38ALPHA MAP KINASE BOUND TO CMPD 22
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-02-04 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.417, 75.042, 78.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.420 - 2.300 |
| R-factor | 0.21353 |
| Rwork | 0.211 |
| R-free | 0.25501 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bal |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.683 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0113) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.420 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.050 | 0.290 |
| Number of reflections | 17683 | |
| <I/σ(I)> | 14.3 | 3.7 |
| Completeness [%] | 92.1 | 84.4 |
| Redundancy | 3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 6-10% PEG-MME 5000, PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |
