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