6B4M

Structural 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 QUANTUM 315
Wavelength(s)	1.45860
Spacegroup name	P 1 21 1
Unit cell lengths	56.893, 79.337, 98.373
Unit cell angles	90.00, 92.33, 90.00

Refinement procedure

Resolution	48.400 - 2.500
R-factor	0.1859
Rwork	0.184
R-free	0.22009
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4v00
RMSD bond length	0.014
RMSD bond angle	1.497
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.400	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.116	0.731
Rpim	0.045	0.292
Number of reflections	28749	3250
<I/σ(I)>	14.4	2.8
Completeness [%]	94.6	73.5
Redundancy	7.6	7.1
CC(1/2)	0.997	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	281	4 mg/mL protein mixed with an equal volume (200 nL) of reservoir: 100 mM ammonium acetate, 100 mM bis-tris-chloride, 25.7% PEG 8000 and incubated at 8 C