1MFZ

Partially refined 2.8 A Crystal structure of GDP-mannose dehydrogenase from P. aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	C 2 2 21
Unit cell lengths	131.173, 136.834, 218.562
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.800
R-factor	0.2065
Rwork	0.204
R-free	0.26300 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.691	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.065	0.217
Total number of observations	151736 *
Number of reflections	48049
<I/σ(I)>	16.7	4.4
Completeness [%]	98.7	90
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	323	10% PEG 3350, 20% isopropanol, 0.1 M Na citrate, pH 5.6, 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	10 (%)
5	1	reservoir	2-propanol	20 (%)
6	1	reservoir	sodium citrate	0.1 (M)	pH5.6