6KX6

Crystal structure of mouse Cryptochrome 1 in complex with KL101 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	2017-06-30
Detector	Bruker DIP-6040
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	130.701, 143.211, 76.820
Unit cell angles	90.00, 118.71, 90.00

Refinement procedure

Resolution	36.340 - 2.000
R-factor	0.2154
Rwork	0.214
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kx4
RMSD bond length	0.003
RMSD bond angle	0.607
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]	36.920	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.130	0.476
Rmeas	0.151	0.559
Rpim	0.078	0.292
Number of reflections	81644	11841
<I/σ(I)>	8.2	2.8
Completeness [%]	98.0
Redundancy	3.7
CC(1/2)	0.989	0.648

Crystallization Conditions

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