2O03

Crystal structure of FurB from M. tuberculosis- a Zinc uptake regulator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-29
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.28087
Spacegroup name	P 41 21 2
Unit cell lengths	51.600, 51.600, 133.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.690 - 2.699
R-factor	0.23
Rwork	0.230
R-free	0.23900
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.389
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXCD
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.850
High resolution limit [Å]	2.690	2.690
Rmerge	0.069	0.310
Number of reflections	5344
<I/σ(I)>	18.85	4.4
Completeness [%]	97.8	92.8
Redundancy	16.76	16.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.3 M ammonium phosphate, 14% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.3 M ammonium phosphate, 14% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.3 M ammonium phosphate, 14% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K