6KX8

Crystal structure of mouse Cryptochrome 2 in complex with TH301 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	2018-06-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	69.171, 120.250, 69.392
Unit cell angles	90.00, 95.21, 90.00

Refinement procedure

Resolution	47.080 - 2.250
R-factor	0.1866
Rwork	0.185
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mlp
RMSD bond length	0.004
RMSD bond angle	0.834
Data reduction software	MOSFLM
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.110	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.075	0.480
Rmeas	0.089	0.576
Rpim	0.048	0.315
Number of reflections	53577	7790
<I/σ(I)>	9.2	2.3
Completeness [%]	99.9	99.8
Redundancy	3.4	3.3
CC(1/2)	0.997	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	100 mM HEPES-NaOH pH 7.0, 15% (w/v) PEG3350, 200 mM NaCl