7BJR
Crystal structure of CHK1-10pt-mutant complex with compound 18
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 | 2013-04-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.080, 66.180, 54.520 |
| Unit cell angles | 90.00, 102.25, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.900 |
| R-factor | 0.1697 |
| Rwork | 0.169 |
| R-free | 0.19150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5oop |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.682 |
| 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 | 2.000 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.040 | 0.523 |
| Number of reflections | 25102 | 3970 |
| <I/σ(I)> | 17 | 2.2 |
| Completeness [%] | 98.7 | 97.4 |
| Redundancy | 3.2 | 3.1 |
| CC(1/2) | 0.999 | 0.845 |
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 |
