3VL4

3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 410 MPa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	293
Detector technology	CCD
Collection date	2011-02-03
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.700
Spacegroup name	C 1 2 1
Unit cell lengths	103.610, 57.633, 75.504
Unit cell angles	90.00, 118.98, 90.00

Refinement procedure

Resolution	48.630 - 1.880
R-factor	0.1588
Rwork	0.156
R-free	0.21290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vkz
RMSD bond length	0.024
RMSD bond angle	2.008
Data reduction software	HKL-2000
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	1.910
High resolution limit [Å]	1.880	5.100	1.880
Rmerge	0.072	0.035	0.398
Number of reflections	27609
<I/σ(I)>	10.5
Completeness [%]	86.4	75.1	91.5
Redundancy	2.8	3.2	2.7

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