2GPT

Crystal structure of Arabidopsis Dehydroquinate dehydratase-shikimate dehydrogenase in complex with tartrate and shikimate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-19
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9795
Spacegroup name	P 32 2 1
Unit cell lengths	96.934, 96.934, 116.157
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.460 - 1.950
R-factor	0.232
Rwork	0.232
R-free	0.25600
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.800
Data reduction software	CAD4
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.058	0.635
Number of reflections	46428
<I/σ(I)>	42.9	3.3
Completeness [%]	99.7	98.5
Redundancy	7.1	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	0.4 mM Sodium Tartrate tetrahydrate, 0.1 M tri-Sodium Citrate dihydrate pH5.6, 2.8 M Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	0.4 mM Sodium Tartrate tetrahydrate, 0.1 M tri-Sodium Citrate dihydrate pH5.6, 2.8 M Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K