7MPK

Crystal structure of TagA with UDP-GlcNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9797
Spacegroup name	P 31 2 1
Unit cell lengths	113.240, 113.240, 114.450
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	74.470 - 2.993
R-factor	0.2094
Rwork	0.204
R-free	0.25740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wb4
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	XDS (20190315)
Data scaling software	XSCALE (20190315)
Phasing software	PHASER (2.8.2)
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.470	74.470	3.070
High resolution limit [Å]	2.990	13.390	2.990
Rmerge	0.113	0.055	0.830
Rmeas	0.120	0.058	0.881
Total number of observations	171310
Number of reflections	17473	230	1243
<I/σ(I)>	16.47	32.68	3.33
Completeness [%]	99.7	99.6	96.5
Redundancy	9.804	8.978	8.991
CC(1/2)	0.998	0.999	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	10% PEG-8000, 8% ethylene glycol, 0.1M HEPES