8PEQ

Complex of diubiquitin-derived artificial binding protein (Affilin) variant Af2 with its target oncofetal fibronectin (fragment 7B8)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	168.650, 105.856, 78.993
Unit cell angles	90.00, 93.53, 90.00

Refinement procedure

Resolution	44.800 - 2.320
R-factor	0.2008
Rwork	0.198
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.017
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.000	30.000	2.400
High resolution limit [Å]	2.300	20.000	2.300
Rmerge	0.058	0.030	0.399
Rmeas	0.068	0.037	0.474
Number of reflections	59628	68	5777
<I/σ(I)>	16.46
Completeness [%]	96.8
Redundancy	3.5
CC(1/2)	0.998	0.998	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.3	298	500 mM lithium sulfate, 15% PEG 8000 (w/v)