1N7H

Crystal Structure of GDP-mannose 4,6-dehydratase ternary complex with NADPH and GDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2000-10-10
Detector	BRANDEIS - B4
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	116.860, 124.440, 110.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.800
R-factor	0.182
Rwork	0.181
R-free	0.20100 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.400 *
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]	10.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.062 *	0.077 *
Number of reflections	70780 *
Completeness [%]	95.0	88
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	298	ammonium sulfate, PEG 400, Imidazole buffer, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	NADPH	2 (M)
2	1	reservoir	GDP	10 (mM)