1KHR

Crystal Structure of Vat(D) in Complex with Virginiamycin and Coenzyme A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1999-10-05
Detector	XENTRONICS
Wavelength(s)	1.5418
Spacegroup name	F 2 2 2
Unit cell lengths	186.100, 185.900, 186.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.000 - 2.800
R-factor	0.189
Rwork	0.186
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.500
Data reduction software	X-GEN
Data scaling software	XDS
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.089	0.296
Total number of observations	135079 *
Number of reflections	37772
Completeness [%]	93.5	91.9
Redundancy	3.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	PEG 400, ethanol, sodium citrate, tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG400	25-35 (%)
2	1	reservoir	ethanol	5-8 (%)
3	1	reservoir	Tris-HCl	0.2 (M)	pH8.0