3ZGF

Crystal structure of the Fucosylgalactoside alpha N- acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with in complex with NPE caged UDP-Gal (P2(1)2(1)2(1) space group)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-5
Synchrotron site	MAX II
Beamline	I911-5
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH SX-165
Spacegroup name	P 21 21 21
Unit cell lengths	52.840, 78.450, 155.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.984 - 1.701
R-factor	0.1827
Rwork	0.182
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rit
RMSD bond length	0.009
RMSD bond angle	1.107
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.850
High resolution limit [Å]	1.700	1.700
Rmerge	0.080	0.630
Number of reflections	71207
<I/σ(I)>	14.94	2.96
Completeness [%]	99.0	96.2
Redundancy	7	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		7-12% POLYETHYLENE GLYCOL 3350, 0.1 - 0.3 M AMMONIUM SULPHATE, 0.05 M MNCL2, 0.05 M MOPS PH 7.0