6PVI

Crystal structure of PhqK in complex with paraherquamide L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	64.903, 79.910, 87.687
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.843 - 2.093
R-factor	0.2103
Rwork	0.208
R-free	0.25630
Structure solution method	MOLECULAR REPLACEMENT
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.843	2.170
High resolution limit [Å]	2.090	2.090
Number of reflections	345452	2646
<I/σ(I)>	1.66
Completeness [%]	100.0
Redundancy	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	25% PEG 3350, 200 mM ammonium acetate, 100 mM Bis-Tris pH 5.5, 2% 2,2,2-trifluoroethanol