6PVF

Crystal structure of PhqK in complex with malbrancheamide B

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	2017-12-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	47.950, 82.359, 119.316
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.310 - 1.690
R-factor	0.1716
Rwork	0.170
R-free	0.20690
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.314	1.750
High resolution limit [Å]	1.690	1.690
Rmerge	0.082
Number of reflections	100693	4655
<I/σ(I)>	1.55
Completeness [%]	99.0
Redundancy	12
CC(1/2)	0.720	0.720

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