8SIV
Structure of Compound 2 bound to the CHK1 10-point mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.827, 65.330, 54.139 |
| Unit cell angles | 90.00, 101.86, 90.00 |
Refinement procedure
| Resolution | 41.150 - 1.759 |
| R-factor | 0.2117 |
| Rwork | 0.210 |
| R-free | 0.25120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.930 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | autoBUSTER (2.11.8 (20-OCT-2021)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.151 | 2.002 |
| High resolution limit [Å] | 1.759 | 1.759 |
| Number of reflections | 18990 | 949 |
| <I/σ(I)> | 7.4 | |
| Completeness [%] | 90.6 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.996 | 0.642 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 11% PEG 8000, 15-20% ethylene glycol, 0.1 M MES (pH 6.5), 5% 6-aminohexanoic acid |
