8FX6

Non-ribosomal PCP-C didomain (amide stabilised leucine) acceptor bound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-02-24
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.95364
Spacegroup name	P 21 21 21
Unit cell lengths	104.719, 105.084, 108.366
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.160 - 2.200
R-factor	0.2025
Rwork	0.200
R-free	0.24450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.503
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.160	2.279
High resolution limit [Å]	2.200	2.200
Number of reflections	61354	6083
<I/σ(I)>	8.48
Completeness [%]	100.0	100
Redundancy	2	2
CC(1/2)	0.999	0.696

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	PEG 3350, Magnesium formate