7EJ9

Alternative 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	2021-03-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	89.486, 93.815, 128.535
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.020 - 2.600
R-factor	0.2113
Rwork	0.210
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kx8
RMSD bond length	0.003
RMSD bond angle	0.813
Data reduction software	xia2 (0.6.475)
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.700	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.141	0.690
Rpim	0.070	0.340
Number of reflections	33745	4832
<I/σ(I)>	8.2	2.2
Completeness [%]	99.9	99.9
Redundancy	5	5.1
CC(1/2)	0.992	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M HEPES-NaOH pH 7.0, 0.35 M NaCl, 18% (w/v) PEG 3350