7WAQ

SbSOMT in complex with resveratrol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-05
Detector	PSI PILATUS 6M
Wavelength(s)	0.978530
Spacegroup name	P 21 21 21
Unit cell lengths	97.485, 111.733, 131.102
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.956 - 2.560
Rwork	0.186
R-free	0.25670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vb8
RMSD bond length	0.018
RMSD bond angle	2.381
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.956	2.650
High resolution limit [Å]	2.550	2.560
Rmerge	0.118	1.156
Rmeas	0.127	1.247
Rpim	0.048	0.468
Number of reflections	46864	4537
<I/σ(I)>	16.3	2.4
Completeness [%]	99.9	100
Redundancy	13.2	13.6
CC(1/2)	0.999	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M MES pH 6.5, 0.2 M ammonium sulphate, 30% (w/v) polyethylene glycol monomethyl ether 5000