7C3C

Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-manose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	72.895, 78.972, 135.421
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.521 - 1.301
R-factor	0.1217
Rwork	0.120
R-free	0.14760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c37
Data reduction software	HKL-3000
Data scaling software	HKL-3000
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	1.350
High resolution limit [Å]	1.300	2.800	1.300
Rmerge	0.101	0.065	0.668
Rmeas	0.109	0.070	0.767
Rpim	0.041	0.026	0.370
Total number of observations	1271715
Number of reflections	190062	19827	17818
<I/σ(I)>	6.8
Completeness [%]	99.3	99.8	94.1
Redundancy	6.7	7.1	4
CC(1/2)		0.996	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.2 M Sodium formate, 0.1 M Bicine pH 8.5, and 20% (w/v) PEG MME 5,000