7C3D

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

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	72.707, 79.054, 135.066
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.752 - 1.596
R-factor	0.1519
Rwork	0.150
R-free	0.17980
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	1.660
High resolution limit [Å]	1.596	3.450	1.600
Rmerge	0.068	0.042	0.750
Rmeas	0.073	0.045	0.805
Rpim	0.027	0.017	0.291
Number of reflections	101891	10745	9960
<I/σ(I)>	7.8
Completeness [%]	98.1	99	97.1
Redundancy	7.4	7.1	7.5
CC(1/2)		0.998	0.829

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