3U5W

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

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	77.180, 77.180, 63.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.050
R-factor	0.212
Rwork	0.211
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uoi
RMSD bond length	0.014
RMSD bond angle	1.363
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]	50.000	50.000	2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.053	0.017	0.506
Number of reflections	13680	185	874
<I/σ(I)>	20.95	60.6	3.2
Completeness [%]	97.3	98.4	85.4
Redundancy	6.8		4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	290	Internal tracking number 222033C10. JCSG screen condition C10: 10% PEG8000, 2% (v/v) dioxane, 0.1 M Bicine, BrabA.17620.a.A1 PS01056 at 40.2mg/ml, vapor diffusion, sitting drop, temperature 290K, pH 9.0, VAPOR DIFFUSION, SITTING DROP