6SU6

Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and UDP-glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976484
Spacegroup name	P 21 21 2
Unit cell lengths	121.240, 174.170, 48.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.250 - 2.400
R-factor	0.2322
Rwork	0.231
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nlm
RMSD bond length	0.003
RMSD bond angle	0.585
Data reduction software	xia2 (0.4)
Data scaling software	xia2 (0.4)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.250	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.106	1.154
Number of reflections	40705	3679
<I/σ(I)>	17.13	1.98
Completeness [%]	98.8	90.96
Redundancy	10.4	8.6
CC(1/2)	0.999	0.657

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