3EX8

Complex structure of bacillus subtilis RibG reduction mechanism in riboflavin biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-06
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	87.078, 108.367, 187.394
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.560
R-factor	0.229
Rwork	0.229
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b3z
RMSD bond length	0.008
RMSD bond angle	1.390
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.650
High resolution limit [Å]	2.560	2.560
Rmerge	0.062	0.426
Number of reflections	56499
<I/σ(I)>	26.2	2.7
Completeness [%]	97.7	95.4
Redundancy	8.3	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	28 % PEG 400, 200mM CaCl2, 100mM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K