6PU0

Pigeon Cryptochrome4 bound to flavin adenine dinucleotide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979200
Spacegroup name	P 21 21 21
Unit cell lengths	54.099, 86.578, 104.267
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.020 - 1.898
R-factor	0.159897807
Rwork	0.158
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k0r
RMSD bond length	0.007
RMSD bond angle	0.860
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	104.073	1.970
High resolution limit [Å]	1.849	1.900
Rmerge	0.097	0.438
Number of reflections	41952	37143
<I/σ(I)>	13.5
Completeness [%]	94.2
Redundancy	3.4
CC(1/2)	0.994	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294.15	Crystals were obtained at 21C in dark from a 1:1 mixture of protein (10-12 mg/mL) and a reservoir solution consisting of 5% PEG 6000 and 0.1 M HEPES pH 7.1. Crystal reached maximum size after 4-5 days and were harvested at that time in the dark. Crystals were transferred to cryoprotectant solution consisting of 5% PEG 6000, 0.1 M HEPES pH 7, 2 mM DTT and either 30% P400 or 30% glycerol. Crystals were flash-frozen in liquid nitrogen in the dark