8H4Q

Aspergillomarasmine A biosynthese complex with OPS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	71.125, 264.071, 163.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.190 - 2.220
R-factor	0.216
Rwork	0.215
R-free	0.23300
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.820	2.320
High resolution limit [Å]	2.200	2.200
Number of reflections	147718	5281
<I/σ(I)>	22.4	2.2
Completeness [%]	99.6
Redundancy	13.3
CC(1/2)	1.000	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M sodium acetate, 1.8M sodium formate