2Z6V

Crystal structure of sulfotransferase STF9 from Mycobacterium avium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0000
Spacegroup name	I 41 2 2
Unit cell lengths	229.517, 229.517, 56.891
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.760 - 2.600
R-factor	0.199
Rwork	0.199
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.098	0.427
Number of reflections	23316
<I/σ(I)>	25.9	3.6
Completeness [%]	98.2	98.2
Redundancy	14.2	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.4	1.6M Magnesium sulfate, 0.1M MES (pH 6.5), 0.15M Sodium choloride, 10mM PAP, 10mM DTT, 50mM Tris-HCl (pH 7.0) , VAPOR DIFFUSION, HANGING DROP, temperature 293.4K