1C0R

COMPLEX OF VANCOMYCIN WITH D-LACTIC ACID

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	1996-09-20
Detector	CUSTOM-MADE
Spacegroup name	P 43 21 2
Unit cell lengths	28.440, 28.440, 66.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.000
R-factor	0.114
R-free	0.14200
RMSD bond length	0.019
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.040
High resolution limit [Å]	1.000	1.000
Rmerge	0.052	0.065
Total number of observations	235187 *
Number of reflections	13896
<I/σ(I)>	29.8
Completeness [%]	97.0	54
Redundancy	16.4	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6		SODIUM CHLORIDE, LACTIC ACID, PH 4.6, VAPOR DIFFUSION/HANGING DROP, TEMPERATURE 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	reservoir	ligand	100 (mM)
3	1	reservoir		2.0-2.4 (M)