2O4C

Crystal Structure of D-Erythronate-4-phosphate Dehydrogenase Complexed with NAD

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-25
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97930, 0.97946, 0.95000
Spacegroup name	P 21 21 21
Unit cell lengths	84.914, 101.630, 142.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.770 - 2.300
R-factor	0.229
Rwork	0.225
R-free	0.25900
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.173
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.03)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.049	0.442
Number of reflections	63477
<I/σ(I)>	14.6
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	297	0.7M ammonium dihydrogen phosphate, 0.4M ammonium tartrate, 0.1M sodium citrate (pH 5.6), 10mM cupric chloride, VAPOR DIFFUSION, HANGING DROP, temperature 297K
1	VAPOR DIFFUSION, HANGING DROP	5.6	297	0.7M ammonium dihydrogen phosphate, 0.4M ammonium tartrate, 0.1M sodium citrate (pH 5.6), 10mM cupric chloride, VAPOR DIFFUSION, HANGING DROP, temperature 297K
1	VAPOR DIFFUSION, HANGING DROP	5.6	297	0.7M ammonium dihydrogen phosphate, 0.4M ammonium tartrate, 0.1M sodium citrate (pH 5.6), 10mM cupric chloride, VAPOR DIFFUSION, HANGING DROP, temperature 297K