4EH4
Human p38 MAP kinase in complex with NP-F3 and RL87
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 | 2011-06-22 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.130, 74.310, 77.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.000 - 2.500 |
R-factor | 0.2337 |
Rwork | 0.227 |
R-free | 0.31740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zyj |
RMSD bond length | 0.014 |
RMSD bond angle | 1.531 |
Data scaling software | XSCALE |
Phasing software | PHASER (1.3.3) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.000 | 2.300 | |
High resolution limit [Å] | 2.200 | 10.000 | 2.200 |
Rmerge | 0.033 | 0.024 | 0.165 |
Number of reflections | 20045 | 252 | 2461 |
<I/σ(I)> | 30.4 | 50.2 | 9.84 |
Completeness [%] | 99.8 | 98.1 | 100 |
Redundancy | 6.18 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM MES, pH 6.5, 19-24% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |