7KW0

Non-ribosomal didomain (stabilised glycine-PCP-C) 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	2019-09-28
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	105.300, 105.508, 107.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.040 - 1.900
R-factor	0.1931
Rwork	0.192
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	model from SAD
RMSD bond length	0.004
RMSD bond angle	0.641
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.040	1.930
High resolution limit [Å]	1.900	1.900
Number of reflections	95246	4669
<I/σ(I)>	13.3	1.2
Completeness [%]	100.0	100
Redundancy	6.8	6.9
CC(1/2)	0.996	0.497

Crystallization Conditions

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