7KVW

Non-ribosomal didomain (holo-PCP-C) 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	2018-09-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9374
Spacegroup name	P 21 21 21
Unit cell lengths	105.550, 105.931, 108.075
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.420 - 2.180
R-factor	0.193
Rwork	0.192
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FROM SAD
RMSD bond length	0.003
RMSD bond angle	0.687
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]	48.140	2.230
High resolution limit [Å]	2.180	2.180
Number of reflections	61896
<I/σ(I)>	12.4	2.3
Completeness [%]	97.1	93.4
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293.15	PEG 3350, Magnesium Formate