5UZH

Crystal structure of a GDP-mannose dehydratase from Naegleria fowleri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 42 21 2
Unit cell lengths	92.730, 92.730, 94.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.365 - 2.250
R-factor	0.1521
Rwork	0.147
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t2a
RMSD bond length	0.007
RMSD bond angle	0.880
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (dev_2621)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.365	46.365	2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.075	0.032	0.566
Rmeas	0.079	0.034	0.597
Number of reflections	20179	272	1462
<I/σ(I)>	24.67	55.95	5.18
Completeness [%]	99.9	97.1	100
Redundancy	9.611	7.335	9.805
CC(1/2)	0.999	0.999	0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	Rigaku Reagents Morpheus F12: (0.02M each D-Glucose, D-Mannnose, D-Galactose, L-Fucose, D-Xylose, N-acetyl-D-Glucosamine: 0.1 M Tris (base)/Bicine pH 8.5, 12.5% MPD, 12.5% Peg1K, 12.5% PEG3350) mixed 1:1 with 19.8 mg/mL protein in sitting drop vapor diffusion. Tray id 283244f12, puck kjy4-9.