4DLJ
Human p38 MAP kinase in complex with RL163
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-07-20 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.541700 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.980, 74.510, 78.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.160 - 2.600 |
R-factor | 0.2164 |
Rwork | 0.209 |
R-free | 0.31390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zyj |
RMSD bond length | 0.016 |
RMSD bond angle | 1.551 |
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 | 2.700 | |
High resolution limit [Å] | 2.600 | 16.000 | 2.600 |
Rmerge | 0.076 | 0.027 | 0.359 |
Number of reflections | 12359 | 63 | 1308 |
<I/σ(I)> | 16.96 | 36.98 | 4.26 |
Completeness [%] | 99.8 | 88.7 | 99.7 |
Redundancy | 4.34 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 100 mM MES, 20-30% PEG4000, 50 mM n-BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |