8K57

Crystal structure of sulfur transferase from Frondihabitans sp. PAMC28461 crystallized in the I21 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	2021-07-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9794
Spacegroup name	I 1 2 1
Unit cell lengths	87.470, 34.760, 93.365
Unit cell angles	90.00, 105.72, 90.00

Refinement procedure

Resolution	29.147 - 2.380
Rwork	0.180
R-free	0.26130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.579
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MERLOT
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.147	2.470
High resolution limit [Å]	2.380	2.380
Number of reflections	11072	1140
<I/σ(I)>	8.4
Completeness [%]	99.3
Redundancy	3.7
CC(1/2)	0.990	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	10% w/v PEG 20,000, 20% v/v PEG MME 550, 0.03 M of magnesium chloride and calcium chloride as divalent cations, and 0.1 M MOPS/HEPES-Na pH 7.5