6QE1
P38 alpha complex with AR117046
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 | 73.880, 77.320, 65.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.470 - 1.850 |
| R-factor | 0.18141 |
| Rwork | 0.179 |
| R-free | 0.22154 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.926 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.470 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.054 | 0.547 |
| Rmeas | 0.069 | 0.697 |
| Rpim | 0.032 | 0.321 |
| Number of reflections | 32109 | 2352 |
| <I/σ(I)> | 15.4 | |
| Completeness [%] | 99.1 | 99.8 |
| Redundancy | 4.4 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | PEG 3000, Calcium Chloride, CHES |
