7BK2
Crystal structure of CHK1-10pt-mutant complex with compound 44
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, 65.960, 55.040 |
| Unit cell angles | 90.00, 99.62, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| R-factor | 0.1595 |
| Rwork | 0.158 |
| R-free | 0.19660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5oop |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.654 |
| 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 | 2.110 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.027 | 0.146 |
| Number of reflections | 21049 | 3344 |
| <I/σ(I)> | 25.8 | 6.6 |
| Completeness [%] | 96.2 | 94.8 |
| Redundancy | 2.9 | 2.7 |
| CC(1/2) | 0.999 | 0.973 |
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 |
