6KX7

Crystal structure of mouse Cryptochrome 1 in complex with TH301 compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-05
Detector	Bruker DIP-6040
Wavelength(s)	0.9
Spacegroup name	I 2 2 2
Unit cell lengths	79.410, 111.180, 145.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.840 - 2.100
R-factor	0.2045
Rwork	0.203
R-free	0.22930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kx4
RMSD bond length	0.006
RMSD bond angle	0.898
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.210	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.079	0.594
Rmeas	0.092	0.689
Rpim	0.046	0.343
Number of reflections	37430	5385
<I/σ(I)>	9.8	2.5
Completeness [%]	99.1
Redundancy	3.7
CC(1/2)	0.996	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20% (w/v) PEG3350, 200 mM NH4Cl