9CGO

Tylosin thioesterase domain (TylG5 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	2012-07-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 65
Unit cell lengths	56.880, 56.880, 292.470
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.260 - 1.930
R-factor	0.1776
Rwork	0.176
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.992
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.260	1.980
High resolution limit [Å]	1.930	1.930
Number of reflections	39846	2656
<I/σ(I)>	7.8
Completeness [%]	100.0
Redundancy	6.3
CC(1/2)	0.990	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.0 M sodium citrate, 100 mM sodium malonate, 100 mM bistrispropane pH 6.5