3OYZ

Haloferax volcanii Malate Synthase Pyruvate/Acetyl-CoA Ternary Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-12-30
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	H 3 2
Unit cell lengths	154.788, 154.788, 142.144
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.950
R-factor	0.2047
Rwork	0.203
R-free	0.23905
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Model built into a lower resolution dataset from a crystal soaked under different conditions phased with a lead derivative using the SIRAS method and SOLVE.
RMSD bond length	0.017
RMSD bond angle	2.467
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.099	0.806
Number of reflections	47508
<I/σ(I)>	15.25	2.35
Completeness [%]	100.0	100
Redundancy	8.4	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.4	295	PEG 4500, glycerol, 2M KCl,MgCl2 , pH 4.4, supplemented with 0.07M pyruvate, 0.15M acetyl-coa, VAPOR DIFFUSION, SITTING DROP, temperature 295K