5Y5R

Crystal structure of a novel Pyrethroid Hydrolase PytH with BIF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 42 21 2
Unit cell lengths	168.857, 168.857, 123.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.913 - 1.899
R-factor	0.2756
Rwork	0.273
R-free	0.32200
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.461
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2247: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.010
High resolution limit [Å]	1.899	1.900
Number of reflections	139606	41697
<I/σ(I)>	7.91	1.18
Completeness [%]	99.3	96.1
Redundancy	14.9	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.7	293	Ammonium Sulfate