5NV4

UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum double mutant D611C:G1050C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-08
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96600
Spacegroup name	P 21 21 21
Unit cell lengths	78.226, 142.162, 186.087
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.850 - 2.780
R-factor	0.239
Rwork	0.239
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n2j
RMSD bond length	0.008
RMSD bond angle	1.180
Data reduction software	XDS (May 1, 2016)
Data scaling software	Aimless (0.5.29)
Phasing software	MOLREP (11.4.06)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.850	2.930
High resolution limit [Å]	2.780	2.780
Rmerge	0.142	3.892
Rpim	0.069	1.826
Number of reflections	53071	7648
<I/σ(I)>	7.8	0.6
Completeness [%]	99.7	99.8
Redundancy	5	5.2
CC(1/2)	0.996	0.412

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Morpheus HT Screen Condition G2 0.1M Carboxylic Acids (0.2M Sodium formate; 0.2M Ammonium acetate; 0.2M Sodium citrate tribasic dihydrate; 0.2M Sodium potassium tartrate tetrahydrate; 0.2M Sodium oxamate) 0.1M Buffer System 1 pH6.5 (Sodium HEPES; MOPS (acid)) 50% v/v Precipitant Mix 2 (40% v/v Ethylene glycol; 20 % w/v PEG 8000)