6QDZ
P38 alpha complex with AR117045
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-12-04 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9173 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.351, 73.990, 77.671 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.900 - 1.730 |
| R-factor | 0.20559 |
| Rwork | 0.203 |
| R-free | 0.24630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.912 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.900 | 1.770 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.136 | 2.072 |
| Rmeas | 0.099 | 2.575 |
| Rpim | 0.073 | 1.378 |
| Number of reflections | 39035 | 2370 |
| <I/σ(I)> | 8.5 | 0.5 |
| Completeness [%] | 97.4 | 82.1 |
| Redundancy | 4.2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | PEG 3000, Calcium Chloride, CHES |
