3TVI

Crystal structure of Clostridium acetobutylicum aspartate kinase (CaAK): An important allosteric enzyme for industrial amino acids production

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	109.041, 274.217, 114.041
Unit cell angles	90.00, 113.69, 90.00

Refinement procedure

Resolution	44.160 - 3.000
R-factor	0.20678
Rwork	0.206
R-free	0.27329
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.057
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	REFMAC (5.6.0116)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.000
Rmerge	0.086
Number of reflections	217894
<I/σ(I)>	14
Completeness [%]	90.0
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	PEG 3350, 100mM Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	PEG 3350, 100mM Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K