8K55

Crystal structure of sulfur transferase from Frondihabitans sp. PAMC28461 crystallized in the P1 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9794
Spacegroup name	P 1
Unit cell lengths	35.250, 61.600, 74.080
Unit cell angles	89.06, 76.30, 79.64

Refinement procedure

Resolution	28.192 - 2.000
Rwork	0.215
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.523
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.910	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.072
Number of reflections	38820	2870
<I/σ(I)>	3.6
Completeness [%]	96.5
Redundancy	3.6
CC(1/2)	0.990	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	10% w/v PEG 20,000, 20% v/v PEG MME 550, 0.03 M of magnesium chloride and calcium chloride, and 0.1 M MOPS/HEPES-Na pH 7.5