8G3J

Non-ribosomal PCP-C didomain R2577G (thioether stabilised glycolic acid) 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	2020-06-25
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	105.117, 105.278, 106.904
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.200 - 2.100
R-factor	0.2031
Rwork	0.201
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.964
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]	47.200	2.175
High resolution limit [Å]	2.100	2.100
Number of reflections	69783	6859
<I/σ(I)>	7.9
Completeness [%]	98.0
Redundancy	2
CC(1/2)	0.842	0.432

Crystallization Conditions

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