6LUE

Crystal structure of mouse Cryptochrome 1 in complex with compound KL201

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	2017-06-30
Detector	Bruker DIP-6040
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	130.551, 143.260, 76.730
Unit cell angles	90.00, 118.65, 90.00

Refinement procedure

Resolution	40.460 - 2.100
R-factor	0.2203
Rwork	0.218
R-free	0.25560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k0r
RMSD bond length	0.005
RMSD bond angle	0.661
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.450	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.133	0.450
Rpim	0.091	0.310
Number of reflections	71867	10493
<I/σ(I)>	6.6	2.8
Completeness [%]	99.9
Redundancy	3.1
CC(1/2)	0.982	0.545

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20% w/v PEG 3350, 3% v/v ethylene glycol, 200 mM NH4Cl