1T13

Crystal Structure Of Lumazine Synthase From Brucella Abortus Bound To 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]	115
Detector technology	CCD
Collection date	2003-07-11
Detector	MARRESEARCH
Wavelength(s)	1.431
Spacegroup name	P 31 2 1
Unit cell lengths	126.321, 126.321, 165.669
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.000 - 2.900
Rwork	0.217
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1di0
RMSD bond length	0.007
RMSD bond angle	1.400
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]	52.000	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.093	0.307
Number of reflections	34456
<I/σ(I)>	6.6	2.4
Completeness [%]	100.0	100
Redundancy	10.7	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	30% PEG 400, 0.1M Na MES pH=6.5, 0.1M Na Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 294K