1H4K

Sulfurtransferase from Azotobacter vinelandii in complex with hypophosphite

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	40.295, 151.465, 53.638
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.050
R-factor	0.21
Rwork	0.210
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e0c
RMSD bond length	0.007
RMSD bond angle	3.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.094	0.300
Number of reflections	18208
<I/σ(I)>	10.5	3.8
Completeness [%]	92.4	90.2
Redundancy	5.7	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