4I6G

a vertebrate cryptochrome with FAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 43
Unit cell lengths	97.525, 97.525, 128.821
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.615 - 2.200
R-factor	0.1987
Rwork	0.197
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.151
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8.1_1168)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.058	0.530
Number of reflections	60952
<I/σ(I)>	37.22	2.475
Completeness [%]	100.0	98.9
Redundancy	6.2	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1M MES-imadzole, pH 6.5, 7.2% PEG8000, 20% ethylene glyco(v/v), 0.03M NaF,NaBr,NaI, VAPOR DIFFUSION, HANGING DROP, temperature 277K