6VQ5

Crystal Structure of Epiphyas postvittana Pheromone Binding Protein 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 43
Unit cell lengths	53.379, 53.379, 105.949
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.660 - 2.600
R-factor	0.2183
Rwork	0.216
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dqe
RMSD bond length	0.007
RMSD bond angle	1.377
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.670	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.113	2.249
Rmeas	0.117	2.329
Rpim	0.031	0.602
Total number of observations		16455
Number of reflections	9187	1116
<I/σ(I)>	12.4	1.5
Completeness [%]	100.0	100
Redundancy	14.2	14.7
CC(1/2)	0.999	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M MES pH 6.5 12 % PEG 20K