7BK1
Crystal structure of CHK1-10pt-mutant complex with compound 32
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER TURBO X-RAY SOURCE |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2014-10-03 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.894, 65.752, 54.975 |
| Unit cell angles | 90.00, 99.88, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.192 |
| Rwork | 0.190 |
| R-free | 0.23520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5oop |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.627 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.300 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.115 | 0.649 |
| Number of reflections | 21388 | 2892 |
| <I/σ(I)> | 8.7 | 1.1 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 5.1 | 3 |
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 |
