3P79
P38 inhibitor-bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-03-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00935 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.490, 71.120, 75.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.570 - 2.100 |
| R-factor | 0.21347 |
| Rwork | 0.209 |
| R-free | 0.26998 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.834 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 28.570 |
| High resolution limit [Å] | 2.100 |
| Number of reflections | 21554 |
| Completeness [%] | 96.4 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 10-20%PEG4000 0.1M cacodylic acid (pH6.0) 50 mM n-octyl -D-glucoside, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
