6YJC
Crystal structure of p38alpha in complex with SR154
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.3 |
Synchrotron site | BESSY |
Beamline | 14.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-25 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.89429 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.140, 70.290, 75.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.300 - 1.741 |
R-factor | 0.203212349275 |
Rwork | 0.202 |
R-free | 0.23656 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lar |
RMSD bond length | 0.004 |
RMSD bond angle | 0.725 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.300 | 1.840 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.069 | 0.509 |
Number of reflections | 37702 | 5295 |
<I/σ(I)> | 11.3 | 2.6 |
Completeness [%] | 99.0 | 97.2 |
Redundancy | 5.1 | 4.9 |
CC(1/2) | 0.995 | 0.767 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 15% medium MW PEG SMEAR, 0.1 M MES, pH 6.0 |