1R7X

Glycosyltransferase B in complex with 3-amino-acceptor analog inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	AREA DETECTOR
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	52.400, 150.200, 79.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.970
Rwork	0.196
R-free	0.22600 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	1.970
Rmerge	0.056 *	0.383 *
Number of reflections	22211 *
Completeness [%]	98.3 *	99.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	18 *	Patenaude, S.I., (2002) Nat. Struct. Biol., 9, 685. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6-8 (mg/ml)
10	1	reservoir	ADA	50 (mM)	pH7.5
11	1	reservoir		10 (mM)
12	1	reservoir	ammonium sulfate	100 (mM)
13	1	reservoir	MPD	5 (%(v/v))
14	1	reservoir	glycerol	10 (%(v/v))
15	1	reservoir	PEG4000	8-10 (%(w/v))
2	1	drop	ADA	70 (mM)	pH7.5
3	1	drop	sodium acetate	50 (mM)	pH4.6
4	1	drop		40 (mM)
5	1	drop		5-8 (mM)
6	1	drop	MPD	2.5 (%(v/v))
7	1	drop	glycerol	5 (%(v/v))
8	1	drop	PEG4000	2 (%(w/v))
9	1	drop	3-chloro-Hg-2-methoxy-propylurea	0.3-0.5 (mM)