6AQZ

Crystal structure of a gdp-l-fucose synthetase from Naegleria fowleri bound to NADP

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	2017-08-07
Detector	RAYONIX MX300HE
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	97.370, 104.030, 120.170
Unit cell angles	90.00, 108.67, 90.00

Refinement procedure

Resolution	46.123 - 2.400
R-factor	0.1789
Rwork	0.178
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e5y
RMSD bond length	0.008
RMSD bond angle	0.953
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.123	46.123	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.051	0.029	0.579
Rmeas	0.059	0.034	0.673
Number of reflections	87872	980	6513
<I/σ(I)>	14.96	34.15	2.14
Completeness [%]	98.8	92.7	98.8
Redundancy	3.778	3.352	3.854
CC(1/2)	0.999	0.997	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	NafoA.00085.a.B1.PS38274 at 12 mg/mL with 2 mM NADP against MCSG1 screen condition H11 0.2 M NaCl, 0.1 M HEPES pH 7.5, 25% PEG 3350 supplemented with 15% EG as cryo, crystal tracking ID 292643h11, unique puck ID dhq2-6