1Z2I

CRYSTAL STRUCTURE OF Agrobacterium tumefaciens MALATE DEHYDROGENASE, NEW YORK STRUCTURAL GENOMICS CONSORTIUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	87
Detector technology	IMAGE PLATE
Collection date	2005-02-11
Detector	RIGAKU RAXIS IV
Spacegroup name	P 31
Unit cell lengths	98.220, 98.220, 146.470
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.239
Rwork	0.239
R-free	0.26500
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.087	0.208
Number of reflections	71329
<I/σ(I)>	8.9	2.6
Completeness [%]	89.1	53.4
Redundancy	15.9	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	PEG3350, 0.1M Bis-Tris, 0.1M Lithium sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K