1MUU

2.0 A crystal structure of GDP-mannose dehydrogenase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97934, 0.97947, 0.94225
Spacegroup name	P 43
Unit cell lengths	82.497, 82.497, 310.173
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.020
R-factor	0.20999
Rwork	0.209
R-free	0.23400 *
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.103
High resolution limit [Å]	2.000	2.000
Rmerge	0.088 *	0.338 *
Total number of observations	975001 *
Number of reflections	129450 *
Completeness [%]	99.7 *	99.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	323	8% MPD, 100 mM Na acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 323K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	50 (mM)	pH7.5
2	1	drop	dithiothreitol	1.0 (mM)
3	1	drop	protein	7.5 (mg/ml)
4	1	reservoir	PEG3350	2 (%)
5	1	reservoir	magnesium sulfate	20 (mM)
6	1	reservoir	sodium acetate	0.1 (M)	pH4.8