1NXG

The F383A variant of type II Citrate Synthase complexed with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Collection date	2002-02-07
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	164.888, 164.888, 158.859
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.187
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008 *
RMSD bond angle	1.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000
High resolution limit [Å]	2.500	2.500 *
Rmerge	0.080 *	0.129 *
Total number of observations	375414 *
Number of reflections	41081 *
Completeness [%]	73.0
Redundancy	4.1 *	2.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *		VAPOR DIFFUSION, HANGING DROP, pH 6.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2-2.2 (M)
2	1	reservoir	PEG400	2 (%(v/v))
3	1	reservoir	sodium HEPES	0.1 (M)	pH7.5
4	1	drop	protein	20 (mg/ml)