6VDZ

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	59.883, 59.883, 160.744
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.360 - 2.950
R-factor	0.2663
Rwork	0.260
R-free	0.32540
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	3.000
High resolution limit [Å]	2.950	8.000	2.950
Rmerge	0.082	0.057	1.510
Rmeas	0.088	0.061	1.606
Rpim	0.030	0.021	0.534
Total number of observations	58396
Number of reflections	7467	442	372
<I/σ(I)>	8.1
Completeness [%]	99.0	99.1	99.5
Redundancy	7.8	7.8	8
CC(1/2)		0.997	0.919

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