6VE0

Crystal structure of reduced SfmD by soaking with sodium hydrosulfite

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 31 2 1
Unit cell lengths	59.453, 59.453, 159.965
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.010 - 3.150
R-factor	0.265
Rwork	0.260
R-free	0.30770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vdp
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.200
High resolution limit [Å]	3.150	8.540	3.150
Rmerge	0.103	0.079	1.084
Rmeas	0.109	0.084	1.153
Rpim	0.036	0.028	0.389
Total number of observations	57538
Number of reflections	6152	362	295
<I/σ(I)>	6.2
Completeness [%]	99.9	99.5	100
Redundancy	9.4	8.1	8.6
CC(1/2)		0.994	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1 M Tris pH 8.5, 0.2 M magnesium chloride, 30% PEG 4000