3VKZ

3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at atmospheric pressure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2010-11-25
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	104.797, 59.003, 76.754
Unit cell angles	90.00, 119.07, 90.00

Refinement procedure

Resolution	22.150 - 1.840
R-factor	0.1442
Rwork	0.142
R-free	0.18490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a05
RMSD bond length	0.029
RMSD bond angle	2.207
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.870
High resolution limit [Å]	1.840	4.990	1.840
Rmerge	0.066	0.049	0.408
Number of reflections	31951
<I/σ(I)>	21.7
Completeness [%]	89.4	78.3	89.3
Redundancy	3.8	3.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	PEG 3350, calcium chloride, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K