8AEJ

X-ray structure of Canis familiaris Odorant Binding Protein 3 bound to menthone

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	2020-10-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978564
Spacegroup name	P 31 2 1
Unit cell lengths	67.075, 67.075, 71.985
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.210 - 1.840
R-factor	0.2222
Rwork	0.220
R-free	0.26080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nre
RMSD bond length	0.012
RMSD bond angle	1.219
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.210	1.880
High resolution limit [Å]	1.840	1.840
Rmerge	0.034	0.461
Rmeas	0.035	0.473
Rpim	0.010	0.105
Number of reflections	16710	970
<I/σ(I)>	42	5.2
Completeness [%]	99.8
Redundancy	19.9
CC(1/2)	1.000	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% PEG 550, 6% 2-propanol in 0.1 M pH 4.6 sodium acetate