7D19

Crystal structure of mouse Cryptochrome 1 in complex with compound TH129

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 32
Unit cell lengths	81.139, 81.139, 141.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.570 - 2.350
R-factor	0.1912
Rwork	0.189
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kx4
RMSD bond length	0.007
RMSD bond angle	0.789
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]	62.780	2.480
High resolution limit [Å]	2.350	2.350
Rmerge	0.087	0.483
Rmeas	0.103	0.569
Rpim	0.054	0.298
Number of reflections	43127	6262
<I/σ(I)>	8.2	2.6
Completeness [%]	99.9	100
Redundancy	3.5	3.6
CC(1/2)	0.995	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.15-0.35 M NH4Cl, 30% w/v PEG 3350, 3% v/v Ethylene glycol