3BVU

GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with Methyl(alpha-D-mannopyranosyl)-(1->3)-S-[(alpha-D-mannopyranosyl)-(1->6)]-alpha-D-mannopyranoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-01
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	68.992, 109.786, 139.049
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.120
R-factor	0.114
Rwork	0.114
R-free	0.15500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hty
RMSD bond length	0.015
RMSD bond angle	0.031
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.150
High resolution limit [Å]	1.120	1.120
Rmerge	0.077	0.628
Number of reflections	399962
<I/σ(I)>	8.8	2.5
Completeness [%]	99.5	98.5
Redundancy	7.4	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	TRIS, NACL, PEG6000, MPD. Crystals washed in phosphate buffered reservoir solution before soaking with substrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K