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 |