1KWF

Atomic Resolution Structure of an Inverting Glycosidase in Complex with Substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-09-04
Detector	MARRESEARCH
Wavelength(s)	0.8815
Spacegroup name	P 21 21 21
Unit cell lengths	49.336, 62.767, 103.493
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 0.940
R-factor	0.094
R-free	0.11300
RMSD bond length	0.014
RMSD bond angle	0.027
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	0.950
High resolution limit [Å]	0.940	0.940
Rmerge	0.043	0.190
Total number of observations	903691 *
Number of reflections	208140
Completeness [%]	99.8	97.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *		used microseeding, Souchon, H., (1996) PROTEINS: STRUCT.,FUNCT.,GENET., 25, 134. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	0.1 (M)	pH7.5
2	1	drop		0.2 (M)
3	1	drop	PEG4000	17 (%)
4	1	reservoir	Tris-HCl	0.1 (M)	pH7.2
5	1	reservoir	PEG8000	15 (%)