3VML

Chimera 3-isopropylmalate dehydrogenase between Shewanella oneidensis MR-1 (O) and Shewanella benthica DB21 MT-2 (M) from N-terminal: 20% O middle 70% M residual 10% O

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-22
Detector	ADSC QUANTUM 270
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	89.008, 107.523, 83.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.250 - 1.560
R-factor	0.17907
Rwork	0.177
R-free	0.20903
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a05
RMSD bond length	0.030
RMSD bond angle	2.364
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	1.590
High resolution limit [Å]	1.560	4.230	1.560
Rmerge	0.066	0.043	0.403
Number of reflections	56022
<I/σ(I)>	14.9
Completeness [%]	98.4	93.6	94.1
Redundancy	4.5	4.4	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	7.5	293	PEG 3350, sodium chloride, HEPES, pH 7.5, hanging drop, temperature 293K