4Y1P

Crystal structure of 3-isopropylmalate dehydrogenase (Saci_0600) from Sulfolobus acidocaldarius complex with 3-isopropylmalate and Mg2+

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]	95
Detector technology	CCD
Collection date	2012-02-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	89.024, 136.719, 112.519
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.510 - 2.200
R-factor	0.19306
Rwork	0.190
R-free	0.24961
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a05
RMSD bond length	0.010
RMSD bond angle	1.438
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200
Number of reflections	35126
<I/σ(I)>	17.9
Completeness [%]	99.7
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.0 M Ammonium sulfate, 0.1 M Cacodylate (pH6.5), 0.2 M NaCl