6Y4W
Crystal structure of p38 in complex with SR69
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-01-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.059, 74.980, 77.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.960 - 1.860 |
R-factor | 0.1904 |
Rwork | 0.188 |
R-free | 0.23280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lar |
RMSD bond length | 0.016 |
RMSD bond angle | 1.660 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 77.710 | 77.710 | 1.960 |
High resolution limit [Å] | 1.860 | 5.880 | 1.860 |
Rmerge | 0.041 | 0.867 | |
Rmeas | 0.061 | 0.046 | 0.951 |
Rpim | 0.025 | 0.019 | 0.385 |
Total number of observations | 199656 | 6492 | 28457 |
Number of reflections | 33145 | 1178 | 4770 |
<I/σ(I)> | 15 | 37.6 | 2.1 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 6 | 5.5 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277.15 | 25% PEG Smear Broad, 0.1M MES pH 6.0 |