7FE5

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	2020-11-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97919
Spacegroup name	P 41 21 2
Unit cell lengths	73.820, 73.820, 244.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.470 - 2.090
R-factor	0.2052
Rwork	0.203
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7fe0
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]	30.600	30.600	2.150
High resolution limit [Å]	2.090	8.880	2.090
Rmerge	0.168	0.059	0.755
Rmeas	0.178	0.064	0.803
Rpim	0.058	0.022	0.265
Total number of observations	359749	5347	25835
Number of reflections	40824	643	3052
<I/σ(I)>	7.1	12.7	2.3
Completeness [%]	99.3	97	93.1
Redundancy	8.8	8.3	8.5
CC(1/2)	0.991	0.986	0.682

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