5X5T

Crystal structure of alpha-ketoglutarate semialdehyde dehydrogenase (KGSADH) from Azospirillum brasilense

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-13
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 43 2 2
Unit cell lengths	129.040, 129.040, 118.093
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.606 - 2.250
R-factor	0.1777
Rwork	0.174
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w8r
RMSD bond length	0.016
RMSD bond angle	1.774
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL-2000
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	129.100	2.290
High resolution limit [Å]	2.250	2.250
Number of reflections	43134
<I/σ(I)>	27.63
Completeness [%]	95.1
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	16% polyethylene glycol 3350, 0.1 M sodium cacodylate pH 6.5, and 0.2 M Magnesium chloride hexahydrate