7FE0

AvmM Catalyzes Macrocyclization in Alchivemycin A Biosynthesis

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	2020-11-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97919
Spacegroup name	P 41 21 2
Unit cell lengths	73.870, 73.870, 243.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.140 - 2.200
R-factor	0.1885
Rwork	0.187
R-free	0.21970
Structure solution method	SAD
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.560	23.560	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.144	0.080	1.258
Rmeas	0.150	0.083	1.316
Rpim	0.041	0.021	0.372
Total number of observations	406516	7714	32588
Number of reflections	34785	584	2910
<I/σ(I)>	10.3	24.5	2.2
Completeness [%]	98.3	94.7	96.3
Redundancy	11.7	13.2	11.2
CC(1/2)	0.997	0.998	0.529

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	0.2 M Magnesium acetate tetrahydrate, 0.1 M Sodium cacodylate 6.5 and 20 % w/v PEG 8000