7C37

Crystal structure of AofleA from Arthrobotrys oligospora

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	2018-01-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	73.413, 78.949, 136.629
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.285 - 1.451
R-factor	0.1234
Rwork	0.121
R-free	0.16100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4agi
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	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.076	0.037	0.874
Rmeas	0.085	0.042	0.977
Rpim	0.038	0.019	0.430
Total number of observations	692668
Number of reflections	140546	14585	13935
<I/σ(I)>	8.4
Completeness [%]	99.8	99.3	100
Redundancy	4.9	4.8	5
CC(1/2)		0.998	0.690

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