4AA5
P38ALPHA MAP KINASE BOUND TO CMPD 33
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-01-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.480, 74.654, 76.399 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.320 - 2.380 |
| R-factor | 0.21827 |
| Rwork | 0.216 |
| R-free | 0.25955 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.401 |
| 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] | 19.320 | 2.510 |
| High resolution limit [Å] | 2.380 | 2.380 |
| Rmerge | 0.050 | 0.280 |
| Number of reflections | 15291 | |
| <I/σ(I)> | 15 | 5.8 |
| Completeness [%] | 95.5 | 90.3 |
| Redundancy | 3.6 | 3.6 |
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 |
