7WCF

Crystal structure of the kinase with AMP-PNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	39.989, 85.403, 92.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.468 - 1.364
R-factor	0.1797
Rwork	0.179
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vkb
RMSD bond length	0.006
RMSD bond angle	0.949
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.770	1.440
High resolution limit [Å]	1.364	1.364
Rmerge	0.049
Number of reflections	64543	7007
<I/σ(I)>	20.9
Completeness [%]	95.0
Redundancy	7.4
CC(1/2)	0.999	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.2	289	10% Tacsimate pH 6.2, 20% PEG3350