4V00

Structural and functional characterization of a novel monotreme- specific protein from the milk of the platypus

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	CCD
Collection date	2013-10-08
Detector	ADSC CCD
Spacegroup name	P 1
Unit cell lengths	57.152, 59.721, 63.074
Unit cell angles	80.15, 82.98, 89.27

Refinement procedure

Resolution	61.680 - 1.820
R-factor	0.16702
Rwork	0.166
R-free	0.18786
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.009
RMSD bond angle	1.162
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	Auto-Rickshaw
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.750	1.860
High resolution limit [Å]	1.820	1.820
Rmerge	0.090	0.810
Number of reflections	72773
<I/σ(I)>	15.1	2.2
Completeness [%]	99.5	91.2
Redundancy	7.4	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.6	281	THE PROTEIN WAS AT 4 MG/ML IN TRIS BUFFERED SALINE; THE RESERVOIR WAS 68 MM AMMONIUM ACETATE, 25.1% W/V PEG 8K, 100 MM SODIUM CACODYLATE BUFFER AT PH 6.6; DONE AT 8C.