1I8D

CRYSTAL STRUCTURE OF RIBOFLAVIN SYNTHASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	93
Detector technology	CCD
Collection date	1999-01-01
Detector	MARRESEARCH
Wavelength(s)	1.1271
Spacegroup name	P 21 21 21
Unit cell lengths	52.083, 61.705, 219.781
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.000
R-factor	0.239 *
Rwork	0.239
R-free	0.29900
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.990
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.040
High resolution limit [Å]	2.000	2.000
Rmerge	0.064	0.215
Total number of observations	437196 *
Number of reflections	48686 *
<I/σ(I)>	33.7
Completeness [%]	99.2	96.7
Redundancy	9	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5	22 *	bis-tris propane, MgCl2, diglyme, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	14 (mg/ml)	or Se-Met-labeled RS
2	1	drop	Tris-HCl	50 (mM)
3	1	reservoir	diglyme	7-10 (%)
4	1	reservoir	Bis-Tris propane-NaOH	25 (mM)
5	1	reservoir		20-50 (mM)