5LAR
Crystal structure of p38 alpha MAPK14 in complex with VPC00628
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.019, 70.580, 75.029 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.700 - 1.500 |
R-factor | 0.17086 |
Rwork | 0.169 |
R-free | 0.20504 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4loo |
RMSD bond length | 0.016 |
RMSD bond angle | 1.551 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.700 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.102 | 0.428 |
Number of reflections | 58904 | |
<I/σ(I)> | 9.7 | 3.1 |
Completeness [%] | 99.3 | 96.6 |
Redundancy | 5.8 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 15% medium-molecular weight PEG Smears (MMW PEG smears), 0.1 M MES, pH 6.5 |