5J7K

Loop grafting onto a highly stable FN3 scaffold

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	2015-08-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	50.220, 71.230, 126.141
Unit cell angles	90.00, 90.43, 90.00

Refinement procedure

Resolution	50.219 - 2.460
R-factor	0.2611
Rwork	0.259
R-free	0.28540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u3h
RMSD bond length	0.005
RMSD bond angle	1.058
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.220	2.560
High resolution limit [Å]	2.460	2.460
Rmerge	0.083	1.170
Number of reflections	32118
<I/σ(I)>	11.6	1.7
Completeness [%]	98.8	98.8
Redundancy	3.7	3.7
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	5% glycerol, 10% 2-propanol, 0.2 M zinc acetate, 0.1 M sodium cacodylate, pH 6.0