5NLM

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

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)	0.97625
Spacegroup name	P 21 21 2
Unit cell lengths	121.000, 172.820, 48.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.410 - 2.140
R-factor	0.2268
Rwork	0.225
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vce
RMSD bond length	0.002
RMSD bond angle	0.516
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.410	2.216
High resolution limit [Å]	2.140	2.140
Rmerge	0.090	1.519
Number of reflections	55926	4759
<I/σ(I)>	15.58	0.86
Completeness [%]	98.0	84.44
Redundancy	8.9	3.9
CC(1/2)		0.327

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.2M MgCl2*6H20, 0.1 M Hepes pH 7.5, 25% PEG 3350