4LE6

Crystal structure of the phosphotriesterase OPHC2 from Pseudomonas pseudoalcaligenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-10
Detector	PSI PILATUS 6M
Wavelength(s)	0.980
Spacegroup name	C 1 2 1
Unit cell lengths	109.910, 63.850, 221.260
Unit cell angles	90.00, 101.85, 90.00

Refinement procedure

Resolution	42.800 - 2.100
R-factor	0.1751
Rwork	0.173
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p9e
RMSD bond length	0.006
RMSD bond angle	0.988
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1352))

Data quality characteristics

	Overall
Low resolution limit [Å]	42.800
High resolution limit [Å]	2.100
Number of reflections	82520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	10% PEG 8000, 100 mM Tris buffer, 200 mM MgCl2, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K