2F59

Lumazine synthase RibH1 from Brucella abortus (Gene BruAb1_0785, Swiss-Prot entry Q57DY1) complexed with inhibitor 5-Nitro-6-(D-Ribitylamino)-2,4(1H,3H) Pyrimidinedione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-04
Detector	MARRESEARCH
Spacegroup name	P 32 2 1
Unit cell lengths	95.317, 95.317, 171.743
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.500 - 2.300
R-factor	0.217
Rwork	0.217
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rvv STARTING RESIDUE 49
RMSD bond length	0.006
RMSD bond angle	1.210
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.500	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.056	0.340
Number of reflections	40642
<I/σ(I)>	10.49	2.2
Completeness [%]	99.5	97
Redundancy	9.5	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.6	292	18% PEG 400, 0.1M MES, 0.2M calcium chloride, pH 6.60, VAPOR DIFFUSION, HANGING DROP, temperature 292K