2W8R

The crystal structure of human SSADH in complex with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6C1
Synchrotron site	PAL/PLS
Beamline	6C1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	F 4 3 2
Unit cell lengths	265.925, 265.925, 265.925
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.400
R-factor	0.226
Rwork	0.226
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.230
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.400	2.400
Rmerge	0.090	0.270
Number of reflections	32022
<I/σ(I)>	15.3	2.6
Completeness [%]	97.2	90.1
Redundancy	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.25		pH 7.25