1GHG

CRYSTAL STRUCTURE OF VANCOMYCIN AGLYCON

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Collection date	1998-02-18
Detector	ADSC QUANTUM 4
Spacegroup name	P 41 21 2
Unit cell lengths	29.480, 29.480, 74.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 0.980
R-factor	0.15
R-free	0.15000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000	1.080
High resolution limit [Å]	0.980	0.980
Rmerge	0.052	0.238
Number of reflections	16377
<I/σ(I)>	29.8
Completeness [%]	87.2	66.7
Redundancy	8.4	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5 *		100 MM SODIUM CACODYLATE, 1.6 M SODIUM ACETATE, PH 6.9, VAPOR DIFFUSION/HANGING DROP, TEMPERATURE 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	DMSO	20 (%(v/v))
3	1	reservoir	sodium acetate	1.5 (M)
4	1	reservoir	sodium cacodylate	100 (mM)