7AKO
Crystal structure of CHK1 kinase domain in complex with a CLASPIN phosphopeptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.968640 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.339, 64.454, 97.082 |
Unit cell angles | 90.00, 96.32, 90.00 |
Refinement procedure
Resolution | 96.490 - 1.800 |
R-factor | 0.1922 |
Rwork | 0.190 |
R-free | 0.23510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ia8 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.729 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 96.490 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 65068 | 2602 |
<I/σ(I)> | 8.8 | |
Completeness [%] | 96.2 | |
Redundancy | 2.9 | |
CC(1/2) | 0.998 | 0.161 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 287.15 | 200 mM Sodium citrate tribasic dihydrate, 100 mM Bis-Tris propane pH 6.5 and 20% w/v PEG 3350 |