6VDQ

Crystal structure of SfmD

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	59.900, 59.900, 155.759
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.220 - 1.780
R-factor	0.2011
Rwork	0.199
R-free	0.22800
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	1.810
High resolution limit [Å]	1.780	4.830	1.780
Rmerge	0.065	0.048	0.880
Rmeas	0.068	0.051	0.917
Rpim	0.019	0.014	0.256
Total number of observations	404391
Number of reflections	31968	1778	1590
<I/σ(I)>	10.6
Completeness [%]	99.9	99.8	100
Redundancy	12.6	11.7	12.5
CC(1/2)		0.999	0.911

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