7BJO
Crystal structure of CHK1-10pt-mutant complex with compound 13
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-05-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.92 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.220, 66.190, 54.460 |
Unit cell angles | 90.00, 101.42, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.300 |
R-factor | 0.1647 |
Rwork | 0.163 |
R-free | 0.20740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5oop |
RMSD bond length | 0.009 |
RMSD bond angle | 1.564 |
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] | 44.300 | 2.120 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.044 | 0.349 |
Number of reflections | 18683 | 1348 |
<I/σ(I)> | 13.9 | 2.8 |
Completeness [%] | 96.9 | 94.9 |
Redundancy | 2.8 | 2.7 |
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 |