2GFS
P38 Kinase Crystal Structure in complex with RO3201195
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.292, 86.480, 124.055 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.752 |
Rwork | 0.205 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.232 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.045 | 0.340 |
Number of reflections | 44701 | 2763 |
<I/σ(I)> | 17.7 | 1.96 |
Completeness [%] | 89.4 | |
Redundancy | 4.1 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | 50mM HEPES pH 7.6, 50mM CaCl2, 17% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K |