1H4M

Sulfurtransferase from Azotobacter vinelandii in complex with phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	40.410, 151.469, 53.609
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.17793
Rwork	0.174
R-free	0.25023
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e0c
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.200	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.032	0.046
Number of reflections	15806
<I/σ(I)>	26.9	24
Completeness [%]	73.7	68.6
Redundancy	18.2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		1.7 M MGSO4, 50 MM MES PH 6.0, 5% (V/V)ETHANEDIOL. NATIVE RHDA CRYSTALS SOAKED IN 5 MM AMMONIUM HYDROGEN PHOSPHATE