3ULF

The light state structure of the blue-light photoreceptor Aureochrome1 LOV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 43
Unit cell lengths	73.980, 73.980, 176.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.105 - 2.900
R-factor	0.2043
Rwork	0.201
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.703
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.074	0.615
Number of reflections	21007
<I/σ(I)>	24	2
Completeness [%]	99.5	99
Redundancy	6.4	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293	100 mM phosphate-citrate buffer (pH 4.2), 20% (w/v) PEG 8000, and 200 mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K