6SU7

Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and 3,4-Dichloroaniline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-02
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	93.353, 119.362, 170.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.280 - 2.750
R-factor	0.2578
Rwork	0.256
R-free	0.28730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nlm
RMSD bond length	0.002
RMSD bond angle	0.531
Data reduction software	xia2 (0.5.5)
Data scaling software	xia2 (0.5.5)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.280	2.840
High resolution limit [Å]	2.750	2.750
Rmerge	0.152	0.824
Rpim	0.073	0.382
Number of reflections	50246	4826
<I/σ(I)>	5.1	1.27
Completeness [%]	99.3	97.08
Redundancy	5.3	5.5
CC(1/2)	0.995	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.2M MGCL2, 0.1M HEPES pH 7.5, 25% PEG 3350