9CFJ

Fluvirucin Thioesterase Domain (FluC TE)

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	2015-07-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	P 3 2 1
Unit cell lengths	132.752, 132.752, 48.493
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.320 - 1.440
R-factor	0.1574
Rwork	0.156
R-free	0.18420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.750
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.320	1.530
High resolution limit [Å]	1.440	1.440
Number of reflections	88675	2751
<I/σ(I)>	26.5
Completeness [%]	99.8
Redundancy	19.7
CC(1/2)	1.000	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM sodium acetate, 30% (v/v) PEG 400, 100 mM MES pH 6.5