1P7T

Structure of Escherichia coli malate synthase G:pyruvate:acetyl-Coenzyme A abortive ternary complex at 1.95 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-25
Detector	MARRESEARCH
Wavelength(s)	1.008
Spacegroup name	P 21 21 21
Unit cell lengths	73.931, 107.394, 204.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.220 - 1.950
R-factor	0.197
Rwork	0.194
R-free	0.29400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d8c
RMSD bond length	0.022 *
RMSD bond angle	2.700 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	EPMR
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.220	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.051 *	0.212 *
Total number of observations	591192 *
Number of reflections	108075 *
Completeness [%]	90.3	90.3
Redundancy	3.3 *	3.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.9	298	MgCl2, Tris, DTT, pyruvate, acetyl-Coenzyme A, HEPES, PEG-8000, sodium acetate, pH 7.9, VAPOR DIFFUSION, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	27.7 (mg/ml)
10	1	reservoir	PEG8000	16 (%)
2	1	drop		8.3 (mM)
3	1	drop	Tris	8.3 (mM)	pH7.9
4	1	drop	dithiothreitol	4.2 (mM)
5	1	drop	pyruvate	50 (mM)
6	1	drop	acetyl-CoA	4.2 (mM)
7	1	reservoir	HEPES	50 (mM)	pH7.0
8	1	reservoir	sodium acetate	150 (mM)
9	1	reservoir		5 (mM)