2ZTJ

Crystal structure of homocitrate synthase from Thermus thermophilus complexed with alpha-ketoglutarate

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	2007-11-07
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 63 2 2
Unit cell lengths	135.645, 135.645, 127.102
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.660 - 1.800
R-factor	0.20034
Rwork	0.199
R-free	0.22391
Structure solution method	MAD
RMSD bond angle	0.013
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.070	0.593
Number of reflections	64069
<I/σ(I)>	30.1	3.9
Completeness [%]		100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.0M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP		293	2.0M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K