7BJJ
Crystal structure of CHK1-10pt-mutant complex with compound 9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-29 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.219, 65.926, 54.526 |
| Unit cell angles | 90.00, 101.50, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.800 |
| R-factor | 0.1731 |
| Rwork | 0.172 |
| R-free | 0.19930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5oop |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.632 |
| 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] | 53.400 | 1.870 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.043 | 0.626 |
| Number of reflections | 24286 | 1215 |
| <I/σ(I)> | 8 | 1.6 |
| Completeness [%] | 74.6 | 19.2 |
| Redundancy | 3 | 3.1 |
| CC(1/2) | 0.999 | 0.650 |
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 |
