6XM7

Crystal structure of DCA-S bound to Co-LSD4 from Sphingobium sp. strain SYK-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97857
Spacegroup name	I 2 2 2
Unit cell lengths	85.320, 112.020, 114.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.800 - 1.450
R-factor	0.1353
Rwork	0.134
R-free	0.15380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ojr
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.14-3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.800	43.800	1.550
High resolution limit [Å]	1.450	5.000	1.450
Rmerge	0.043	0.032	0.503
Rmeas	0.052	0.038	0.633
Total number of observations	594735
Number of reflections	184209	4579	30336
<I/σ(I)>	15.68	34.34	1.94
Completeness [%]	97.8	99.6	88.9
Redundancy	3.229	3.486	2.43
CC(1/2)	0.998	0.997	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.3 M magnesium acetate, 29% PEG3350