7WVA

Crystal structure of mouse Cryptochrome 1 in complex with TH401 compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-04-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	44.916, 78.195, 132.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.380 - 2.050
R-factor	0.1911
Rwork	0.190
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kx4
RMSD bond length	0.007
RMSD bond angle	0.779
Data reduction software	xia2
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.180	2.160
High resolution limit [Å]	2.050	2.050
Rmerge	0.077	0.475
Rmeas	0.083	0.512
Rpim	0.030	0.187
Number of reflections	30136	4271
<I/σ(I)>	13.7	3
Completeness [%]	99.9	99.7
Redundancy	7.4	7.2
CC(1/2)	0.999	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.25 M NH4Cl, 22% w/v PEG 3350, 3% v/v Ethylene glycol