8G3I

Non-ribosomal PCP-C didomain (thioether stabilised glycolic acid) acceptor bound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-07-07
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	105.105, 105.474, 107.942
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.500 - 3.020
R-factor	0.2051
Rwork	0.203
R-free	0.24770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.547
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]	35.500	3.130
High resolution limit [Å]	3.020	3.020
Number of reflections	23809	2268
<I/σ(I)>	4.68
Completeness [%]	98.0
Redundancy	2
CC(1/2)	0.992	0.430

Crystallization Conditions

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