1NXE

A Novel NADH Allosteric Regulator Site is Found on the Surface of the Hexameric Type II Phe383Ala Variant of Citrate Synthase

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	165.243, 165.243, 157.557
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.300
R-factor	0.17
Rwork	0.170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1K3P
RMSD bond length	0.007 *
RMSD bond angle	1.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.300	2.300 *
Rmerge	0.060 *	0.154 *
Total number of observations	485765 *
Number of reflections	54292
Redundancy	3.8 *	1.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *		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)