7V8Z

Crystal structure of mouse CRY2 in complex with SHP656 compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 65
Unit cell lengths	77.643, 77.643, 159.219
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.240 - 1.950
R-factor	0.1734
Rwork	0.172
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kx8
RMSD bond length	0.006
RMSD bond angle	0.781
Data reduction software	xia2
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.240	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.082	0.512
Rmeas	0.084	0.527
Rpim	0.020	0.128
Number of reflections	39503	5744
<I/σ(I)>	21.7	6.1
Completeness [%]	100.0	100
Redundancy	17	16.9
CC(1/2)	0.999	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M HEPES pH 7.0, 0.1 M NaCl, 16% PEG 3350