8SIW
Structure of Compound 5 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 | 2020-12-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.998, 66.121, 110.295 |
Unit cell angles | 90.00, 101.27, 90.00 |
Refinement procedure
Resolution | 108.170 - 1.877 |
R-factor | 0.2209 |
Rwork | 0.219 |
R-free | 0.25810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.920 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7 (20-MAY-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 108.170 | 2.014 |
High resolution limit [Å] | 1.853 | 1.853 |
Number of reflections | 27515 | 727 |
<I/σ(I)> | 7.8 | |
Completeness [%] | 84.6 | |
Redundancy | 3.4 | |
CC(1/2) | 0.998 | 0.510 |
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 |