1NBO

The dual coenzyme specificity of photosynthetic glyceraldehyde-3-phosphate dehydrogenase interpreted by the crystal structure of A4 isoform complexed with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	CCD
Collection date	2001-07-12
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	C 2 2 2
Unit cell lengths	140.644, 185.652, 106.446
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 * - 2.600
Rwork	0.203
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jn0
RMSD bond length	0.006
RMSD bond angle	23.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.090	0.200 *
Total number of observations	679015 *
Number of reflections	43271 *
<I/σ(I)>	26	9.3
Completeness [%]	99.9	99.9
Redundancy	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	293	ammonium sulfate 2 M, Tris-HCl, 0.1 M, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	293	ammonium sulfate 2 M, Tris-HCl, 0.1 M, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	293	ammonium sulfate 2 M, Tris-HCl, 0.1 M, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1 (M)
2	1	reservoir	Tris-HCl	0.1 (M)	pH8
3	1	drop	protein	10 (mg/ml)
4	1	drop	Tris-HCl	25 (mM)	pH7.5
5	1	drop	NAD	1 (mM)