1IAN
HUMAN P38 MAP KINASE INHIBITOR COMPLEX
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-08-31 |
| Detector | FUJI |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.100, 74.300, 77.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.000 |
| R-factor | 0.234 |
| Rwork | 0.234 |
| R-free | 0.30100 |
| Structure solution method | SE-MET MAD AND MR |
| Starting model (for MR) | ERK2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 24.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MADSYS |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.046 | 0.157 |
| Total number of observations | 179632 * | |
| Number of reflections | 25453 | |
| <I/σ(I)> | 23 | 7 |
| Completeness [%] | 99.0 | 95 |
| Redundancy | 7 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.4 | 21-25 * | Pav, S., (1997) Protein Sci., 6, 242. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 6.0 (mg/ml) | |
| 2 | 1 | drop | inhibitor | 1.4 (mM) | |
| 3 | 1 | reservoir | PEG1500 | 28-32 (%(w/v)) | |
| 4 | 1 | reservoir | dithiothreitol | 5 (mM) |
