3HZU

Crystal structure of probable thiosulfate sulfurtransferase SSEA (rhodanese) from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-22
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	90.730, 88.327, 36.794
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.810 - 2.100
R-factor	0.208
Rwork	0.205
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uar
RMSD bond length	0.008
RMSD bond angle	1.081
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.084	0.387
Number of reflections	18019
<I/σ(I)>	16.649	2.7
Completeness [%]	99.5	95.1
Redundancy	6.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	2.4 M ammonium sulfate, 0.1 M BisTris pH 6.5, 36.6 mg/mL protein, crystal ID 203314g9, 15% glycerol as cryo-protectant, VAPOR DIFFUSION, SITTING DROP, temperature 289K