5Y5V

Crystal structure of a novel Pyrethroid Hydrolase PytH (S78A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-01-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 42 21 2
Unit cell lengths	168.200, 168.200, 123.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.823 - 2.980
R-factor	0.2194
Rwork	0.216
R-free	0.29150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.199
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((dev_2247: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.140
High resolution limit [Å]	2.980	2.980
Number of reflections	36638	5259
<I/σ(I)>	7.1	2.2
Completeness [%]	99.7	100
Redundancy	9.8	10

Crystallization Conditions

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