4AA0
P38ALPHA MAP KINASE BOUND TO CMPD 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-08-22 |
| Detector | CCD (QUANTUM 4) |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.520, 76.060, 78.361 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.580 - 1.800 |
| R-factor | 0.21337 |
| Rwork | 0.209 |
| R-free | 0.25539 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.510 |
| 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] | 54.580 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 0.510 |
| Number of reflections | 37506 | |
| <I/σ(I)> | 11.1 | 1.3 |
| Completeness [%] | 91.9 | 76.2 |
| Redundancy | 2.3 | 1.9 |
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 |
