8AEI

X-ray structure of Canis familiaris Odorant Binding Protein 2 bound to citronellal

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	2020-12-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978566
Spacegroup name	P 1 21 1
Unit cell lengths	51.562, 48.685, 67.102
Unit cell angles	90.00, 105.20, 90.00

Refinement procedure

Resolution	38.910 - 1.740
R-factor	0.1918
Rwork	0.190
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l4r
RMSD bond length	0.006
RMSD bond angle	0.807
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.690	1.770
High resolution limit [Å]	1.740	1.740
Rmerge	0.052	0.376
Rmeas	0.056	0.407
Rpim	0.021	0.153
Number of reflections	32275	1535
<I/σ(I)>	19
Completeness [%]	97.0	85
Redundancy	6.9	6.6
CC(1/2)	0.999	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	35% PEG 4000, 0.2 M MgCl2 in 0.1 M pH 8.0 Tris buffer