2FG9

CRYSTAL STRUCTURE OF A PUTATIVE 5-NITROIMIDAZOLE ANTIBIOTIC RESISTANCE PROTEIN (BT_3078) FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 AT 2.20 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-28
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9798, 0.9797, 1.0163
Spacegroup name	I 4 3 2
Unit cell lengths	134.000, 134.000, 134.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.570 - 2.200
R-factor	0.22392
Rwork	0.223
R-free	0.24500
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.731
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.570	28.570	2.280
High resolution limit [Å]	2.200	4.720	2.200
Rmerge	0.068	0.755	0.755
Number of reflections	10216	2009	1854
<I/σ(I)>	22.58	60.58	3.55
Completeness [%]	98.2		92
Redundancy	11.2		10.18

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	7.9	277	0.2M (NH4)2HPO4, 20.0% PEG-3350, No Buffer, pH 7.9, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K