6AQY

Crystal structure of a gdp-l-fucose synthetase 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	2017-08-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	99.730, 102.100, 121.820
Unit cell angles	90.00, 107.63, 90.00

Refinement procedure

Resolution	35.558 - 2.550
R-factor	0.1872
Rwork	0.186
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e5y
RMSD bond length	0.008
RMSD bond angle	0.897
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]	35.558	35.558	2.620
High resolution limit [Å]	2.550	11.400	2.550
Rmerge	0.048	0.020	0.567
Rmeas	0.055	0.023	0.646
Number of reflections	75854	832	5557
<I/σ(I)>	19.16	42.22	2.77
Completeness [%]	99.7	91.5	99.9
Redundancy	4.174	3.722	4.276
CC(1/2)	0.999	0.999	0.820

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 against Morpheus screen condition C8 12.5% PEG1000, 12.5% PEG3350, 12.5% MPD, 30 mM sodium nitrate, 30 mM disodium hydrogen phosphate, 30 mM ammonium sulfate, 0.1 M MOPS/HEPES pH 7.5, crystal tracking ID 292647c8, dhq2-1 unique puck ID