3U0I

Crystal Structure of a probable FAD-binding, putative uncharacterized protein from Brucella melitensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-27
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.541780
Spacegroup name	P 32 2 1
Unit cell lengths	77.970, 77.970, 63.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.210 - 2.200
R-factor	0.191
Rwork	0.190
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hq9
RMSD bond length	0.012
RMSD bond angle	1.483
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.210	46.210	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.037	0.014	0.330
Number of reflections	21490	233	1398
<I/σ(I)>	23.9	87.6	2.8
Completeness [%]	98.1	97.1	86.3
Redundancy	3.5		1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	290	Internal tracking number 222033a7. JCSG screen condition A7: 20% PEG8000, 0.1 M CHES, BrabA.17620.a.A1 PS01056 at 40.2mg/ml, pH 9.5, vapor diffusion, sitting drop, temperature 290K