4QD7

Crystal structure of Thioesterase PA1618 from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-04-25
Detector	PSI PILATUS 6M
Wavelength(s)	0.97939
Spacegroup name	C 2 2 21
Unit cell lengths	101.652, 202.514, 90.993
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.869 - 1.765
R-factor	0.207
Rwork	0.207
R-free	0.22550
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.159
Data reduction software	autoXDS
Data scaling software	autoXDS
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	35.870
High resolution limit [Å]	1.720
Number of reflections	97075
Completeness [%]	97.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		45% PEG400, 0.1M Bis Tris, 10mM beta-mercaptoethanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP