6PTZ

Crystal structure of pigeon Cryptochrome 4 mutant Y319D in complex with flavin adenine dinucleotide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	53.733, 85.574, 103.283
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.214 - 1.793
R-factor	0.1652
Rwork	0.163
R-free	0.20610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k0r
RMSD bond length	0.007
RMSD bond angle	0.895
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]	50.000	1.860
High resolution limit [Å]	1.793	1.793
Rmerge	0.077	0.389
Number of reflections	38744	38705
<I/σ(I)>	32.1
Completeness [%]	85.3
Redundancy	4
CC(1/2)	0.997	0.883

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 7.5% 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