4HA9

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-21
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	45.978, 68.868, 150.335
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.430 - 2.350
R-factor	0.2083
Rwork	0.205
R-free	0.26490
Structure solution method	MR
RMSD bond length	0.008
RMSD bond angle	1.309
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]	34.430	2.390
High resolution limit [Å]	2.350	2.350
Number of reflections	20487
Completeness [%]	99.8	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