3QUE
Human p38 MAP Kinase in Complex with Skepinone-L
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2011-02-15 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.408, 74.016, 77.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.000 - 2.700 |
R-factor | 0.2295 |
Rwork | 0.223 |
R-free | 0.31090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zyj |
RMSD bond length | 0.015 |
RMSD bond angle | 1.634 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.000 | 2.800 | |
High resolution limit [Å] | 2.700 | 16.000 | 2.700 |
Rmerge | 0.082 | 0.016 | 0.496 |
Rmeas | 0.090 | 0.019 | 0.543 |
Number of reflections | 10793 | 67 | 1104 |
<I/σ(I)> | 18.9 | 56.96 | 4.15 |
Completeness [%] | 99.8 | 98.5 | 100 |
Redundancy | 5.73 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 100mM MES, 20-30% PEG 4000, 50mM n-BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |