6DSI

Anti recombinant prolactin receptor scFv

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	2014-11-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370
Spacegroup name	C 2 2 21
Unit cell lengths	118.280, 133.030, 44.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.860 - 2.490
R-factor	0.2086
Rwork	0.207
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dn0
RMSD bond length	0.013
RMSD bond angle	1.503
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.800	2.590
High resolution limit [Å]	2.490	2.490
Rmerge	0.113	0.513
Rmeas	0.123	0.557
Rpim	0.049	0.216
Number of reflections	12684	1397
<I/σ(I)>	10.1
Completeness [%]	99.9	100
Redundancy	6.6	6.5
CC(1/2)	0.972	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	Equal volumes (2 microlitres) of protein solution (5 mg/mL in 15 mM Tris (pH 7.5) and 50 mM NaCl) were combined with well solution (2% (v/v) Dioxane, 100 mM Bicine (pH 9.0) and 10% (w/v) PEG4000)