5X5U

Crystal structure of alpha-ketoglutarate-semialdehyde dehydrogenase (KGSADH) complexed with NAD

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	2014-12-23
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 43 2 2
Unit cell lengths	129.305, 129.305, 118.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.678 - 2.300
R-factor	0.165
Rwork	0.162
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w8r
RMSD bond length	0.017
RMSD bond angle	1.860
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]	129.300	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	40594
<I/σ(I)>	66.47
Completeness [%]	95.2
Redundancy	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, Ammonium citrate