4HA7

Structural insights into the reduction mechanism of Saccharomyces cerevisia Riboflavin Biosynthesis Reductase Rib7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	45.500, 68.623, 148.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.749 - 2.100
R-factor	0.203
Rwork	0.200
R-free	0.26610
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.235
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.750	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	27560
Completeness [%]	98.5	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	0.05M Calcium chloride dihydrate, 0.1M BIS-TRIS, 30% v/v Polyethylene glycol monomethyl ether 550 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K