1DI0

CRYSTAL STRUCTURE OF LUMAZINE SYNTHASE FROM BRUCELLA ABORTUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	300
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	H 3 2
Unit cell lengths	142.250, 142.250, 242.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	150.000 - 2.700
R-factor	0.18
Rwork	0.180
R-free	0.23000
RMSD bond length	0.034 *
RMSD bond angle	2.560 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
High resolution limit [Å]	2.700
Rmerge	0.090 *
Number of reflections	20404
Completeness [%]	90.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5		1.2 M ammonium sulfate, 0.1M phoshate buffer, pH 5, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.25 (M)
2	1	reservoir	phosphate	0.1 (M)