3ELQ

Crystal structure of a bacterial arylsulfate sulfotransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-29
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 32 1 2
Unit cell lengths	181.727, 181.727, 100.428
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.900 - 2.000
R-factor	0.208
Rwork	0.207
R-free	0.24800
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.188
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.060
High resolution limit [Å]	2.000	2.000
Rmerge	0.085	0.440
Number of reflections	124546
<I/σ(I)>	20.3	3.5
Completeness [%]	99.0	94.9
Redundancy	12.1	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.8M LITHIUM SULFATE, 0.1M SODIUM CACODYLATE, pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.8M LITHIUM SULFATE, 0.1M SODIUM CACODYLATE, pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 293K