1QD8

COMPLEX OF VANCOMYCIN WITH N-ACETYL GLYCINE

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	1996-09-19
Detector	CUSTOM-MADE
Spacegroup name	P 43 21 2
Unit cell lengths	28.710, 28.710, 66.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.000
R-factor	0.11
R-free	0.13100
RMSD bond length	0.017
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	0.042	0.065
Total number of observations	34664 *
Number of reflections	14172
<I/σ(I)>	46.4
Completeness [%]	93.0	62
Redundancy	23.4	2098

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6		SODIUM CHLORIDE, N-ACETYL GLYCINE, 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)