6KTQ

Crystal structure of catalytic domain of homocitrate synthase from Sulfolobus acidocaldarius (SaHCS(dRAM)) in complex with alpha-ketoglutarate/Zn2+/CoA

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	PIXEL
Collection date	2016-11-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	114.693, 114.693, 125.713
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	125.710 - 1.980
R-factor	0.1763
Rwork	0.174
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ztj
RMSD bond length	0.010
RMSD bond angle	1.535
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	125.710	2.030
High resolution limit [Å]	1.980	1.980
Rpim	0.031	0.222
Number of reflections	66792	3298
<I/σ(I)>	28.3
Completeness [%]	100.0
Redundancy	10.1
CC(1/2)	0.999	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES-NaOH, pH 7.5, 1.0 M (NH4)2SO4, 2% PEG 400