7C3E

Crystal structure of R97A/R150A/R203A mutant of AofleA from Arthrobotrys oligospora

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	2018-11-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	81.962, 102.484, 106.020
Unit cell angles	90.00, 91.43, 90.00

Refinement procedure

Resolution	36.837 - 2.183
R-factor	0.1691
Rwork	0.167
R-free	0.21720
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	2.280
High resolution limit [Å]	2.183	4.740	2.200
Rmerge	0.121	0.054	0.500
Rmeas	0.148	0.065	0.618
Rpim	0.084	0.036	0.357
Number of reflections	82334	7904	8436
<I/σ(I)>	4.8
Completeness [%]	91.3	86.1	93.9
Redundancy	2.8	2.9	2.7
CC(1/2)		0.994	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	1.8 M Aammonium sulfate, 0.1 M Bis-Tris pH 6.5, and 2% (v/v) PEG MME 550