7D1C

Crystal structure of mouse Cryptochrome 1 in complex with compound TH303

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	2019-06-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	45.078, 79.148, 133.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.700 - 1.910
R-factor	0.1897
Rwork	0.188
R-free	0.21770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kx4
RMSD bond length	0.004
RMSD bond angle	0.593
Data reduction software	xia2 (0.6.467)
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]	67.780	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.117	0.400
Rmeas	0.133	0.453
Rpim	0.062	0.208
Number of reflections	37588	5359
<I/σ(I)>	7.1	2.9
Completeness [%]	99.1	98.3
Redundancy	4.6	4.7
CC(1/2)	0.990	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.25 M NH4Cl, 23% PEG w/v 3350, 3% v/v Ethylene glycol