6YK7
Crystal structure of p38 in complex with SR43
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 | 65.349, 74.830, 77.199 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.730 - 1.900 |
R-factor | 0.1856 |
Rwork | 0.183 |
R-free | 0.23490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lar |
RMSD bond length | 0.016 |
RMSD bond angle | 1.625 |
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] | 77.199 | 77.199 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.071 | 0.040 | 0.844 |
Rmeas | 0.078 | 0.044 | 0.927 |
Rpim | 0.032 | 0.018 | 0.377 |
Number of reflections | 30526 | 1078 | 4358 |
<I/σ(I)> | 12.7 | 12.4 | 2 |
Completeness [%] | 99.9 | 99.7 | 99.8 |
Redundancy | 5.9 | 5.4 | 5.8 |
CC(1/2) | 0.999 | 0.625 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 297.15 | 22.5% PEG Smear Medium, 0.1M MES pH 6.0 |