7V8Y

Crystal structure of mouse CRY2 in complex with SHP1703 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	77.737, 77.737, 159.158
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.870 - 1.900
R-factor	0.1683
Rwork	0.166
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kx8
RMSD bond length	0.010
RMSD bond angle	1.000
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]	67.180	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.060	0.496
Rmeas	0.061	0.509
Rpim	0.013	0.112
Number of reflections	42509	6134
<I/σ(I)>	29.1	6
Completeness [%]	99.9	99.2
Redundancy	20	19.9
CC(1/2)	1.000	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M HEPES pH 7.0, 0.15 M NaCl, 12% PEG 3350