7N41

Crystal structure of TagA with UDP-ManNAc

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	2021-04-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 31 2 1
Unit cell lengths	113.640, 113.640, 118.550
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	98.420 - 3.300
R-factor	0.1976
Rwork	0.195
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7mpk
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	98.420	98.420	3.390
High resolution limit [Å]	3.300	14.760	3.300
Rmerge	0.074	0.033	1.196
Rmeas	0.080	0.037	1.288
Total number of observations	100887
Number of reflections	13697	182	1000
<I/σ(I)>	14.74	39.11	1.47
Completeness [%]	99.9	98.9	99.8
Redundancy	7.366	6.434	7.227
CC(1/2)	0.999	0.998	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	10% PEG-8000, 20% ethylene glycol, 0.05M Tris, 0.04 Potassium phosphate monobasic