7Q4I

Crystal structure of DmC1GalT1 in complex with UDP-Mn2+ and the APD-TGalNAc-RP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9919
Spacegroup name	P 1 21 1
Unit cell lengths	50.241, 80.445, 71.949
Unit cell angles	90.00, 93.19, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.1778
Rwork	0.175
R-free	0.23466
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AF-Q9NS00-F1-model_v1.pdb
RMSD bond length	0.011
RMSD bond angle	1.769
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.143	0.825
Rpim	0.091	0.526
Number of reflections	22437	3241
<I/σ(I)>	7.1
Completeness [%]	99.8
Redundancy	3.4
CC(1/2)	0.981	0.412

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	potassium thiocyanate, Polyethylene glycol monomethyl ether 2,000