6XM8

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-07
Detector	RAYONIX MX300HE
Wavelength(s)	0.97934
Spacegroup name	I 2 2 2
Unit cell lengths	85.700, 112.540, 115.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.305 - 1.850
R-factor	0.1479
Rwork	0.147
R-free	0.17320
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]	40.305	40.305	1.960
High resolution limit [Å]	1.850	5.000	1.850
Rmerge	0.154	0.073	0.730
Rmeas	0.180	0.085	0.854
Total number of observations	351935
Number of reflections	92163	4679	14633
<I/σ(I)>	6.66	14.05	2.13
Completeness [%]	100.0	99.8	100
Redundancy	3.819	3.831	3.793
CC(1/2)	0.988	0.990	0.708

Crystallization Conditions

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