8FX7

Non-ribosomal PCP-C didomain (ester 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	2022-07-28
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	104.333, 104.782, 106.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.490 - 2.200
R-factor	0.1884
Rwork	0.186
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.541
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]	47.492	2.279
High resolution limit [Å]	2.200	2.200
Number of reflections	59893	5913
<I/σ(I)>	7.79
Completeness [%]	100.0	100
Redundancy	2	2
CC(1/2)	0.996	0.633

Crystallization Conditions

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