2RJ0

B-specific alpha-1,3-galactosyltransferase G176R mutant + UDP+ Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2007-03-07
Detector	RIGAKU RAXIS IV++
Spacegroup name	C 2 2 21
Unit cell lengths	52.530, 149.350, 79.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.520
R-factor	0.225
Rwork	0.223
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.315
Data scaling software	d*TREK (9.4SSI)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	19.910	1.570
High resolution limit [Å]	1.520	3.270	1.520
Rmerge	0.042	0.020	0.355
Total number of observations		44512	31057
Number of reflections	48558
<I/σ(I)>	20.1	62	4.2
Completeness [%]	99.9	100	99.4
Redundancy	7.98	8.7	6.48

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	7.5	298	PEG4000 Glycerol MgCl NH2SO4, pH 7.5, hanging drop, temperature 298K