6KX5

Crystal structure of mouse Cryptochrome 1 in complex with KL044 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	2017-06-04
Detector	Bruker DIP-6040
Wavelength(s)	0.9
Spacegroup name	P 1
Unit cell lengths	44.410, 54.400, 61.420
Unit cell angles	63.90, 88.99, 83.65

Refinement procedure

Resolution	35.040 - 2.000
R-factor	0.1793
Rwork	0.176
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kx4
RMSD bond length	0.008
RMSD bond angle	0.868
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.040	2.070
High resolution limit [Å]	2.000	2.000
Rmerge		0.518
Rmeas	0.266
Rpim	0.134
Number of reflections	34078	4936
<I/σ(I)>	4.6	2.4
Completeness [%]	98.3
Redundancy	4
CC(1/2)	0.930	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% w/v PEG 3350, 3% v/v ethylene glycol, 200 mM NH4Cl