1TEX

Mycobacterium smegmatis Stf0 Sulfotransferase with Trehalose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	95
Detector technology	CCD
Collection date	2003-08-06
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1000
Spacegroup name	P 32 2 1
Unit cell lengths	101.929, 101.929, 228.212
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.600
R-factor	0.22036
Rwork	0.218
R-free	0.27377
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.818
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.590
Rmerge	0.066	0.409
Number of reflections	42803
<I/σ(I)>	17.4	3.2
Completeness [%]		95.6
Redundancy	5	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	298	PEG 3000, sodium citrate, trehalose, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	5.2	298	PEG 3000, sodium citrate, trehalose, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	5.2	298	PEG 3000, sodium citrate, trehalose, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K