7C39

Crystal structure of AofleA from Arthrobotrys oligospora in complex with methylated L-fucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	75.832, 77.103, 136.841
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.420 - 1.850
R-factor	0.1541
Rwork	0.152
R-free	0.18490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c37
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.920
High resolution limit [Å]	1.850	3.990	1.850
Rmerge	0.100	0.051	0.806
Rmeas	0.109	0.056	0.921
Rpim	0.044	0.023	0.434
Number of reflections	68886	7283	6426
<I/σ(I)>	11.7
Completeness [%]	99.1	99.6	93.9
Redundancy	6	5.5	3.9
CC(1/2)		0.997	0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.4	289	0.1 M sodium citrate pH 4.4 and 30% (w/v) PEG 1000