7BK3
Crystal structure of CHK1-10pt-mutant complex with compound 45
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9786 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.910, 66.130, 55.000 |
Unit cell angles | 90.00, 99.65, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.000 |
R-factor | 0.1732 |
Rwork | 0.171 |
R-free | 0.22450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5oop |
RMSD bond length | 0.010 |
RMSD bond angle | 1.583 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.049 | 0.492 |
Number of reflections | 24153 | 3874 |
<I/σ(I)> | 15.9 | 2.2 |
Completeness [%] | 97.3 | 96.8 |
Redundancy | 2.8 | 2.7 |
CC(1/2) | 0.999 | 0.846 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 7% PEG 8000, 0.1 M MES buffer pH 6.5, 20% ethylene glycol |