7BJE
Crystal structure of CHK1-10pt-mutant complex with adenine
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 | 45.035, 65.815, 54.227 |
Unit cell angles | 90.00, 101.17, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.1731 |
Rwork | 0.172 |
R-free | 0.19880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5oop |
RMSD bond length | 0.011 |
RMSD bond angle | 1.641 |
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] | 53.200 | 1.800 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.037 | 0.583 |
Number of reflections | 27125 | 1356 |
<I/σ(I)> | 9.5 | 1.2 |
Completeness [%] | 71.5 | 14.7 |
Redundancy | 2.8 | 1.9 |
CC(1/2) | 0.999 | 0.592 |
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 |