8PF0

Diubiquitin-derived artificial binding protein (Affilin) variant Af1 specific to oncofetal fibronectin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9184
Spacegroup name	P 41
Unit cell lengths	62.767, 62.767, 67.841
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.050 - 2.200
R-factor	0.195
Rwork	0.193
R-free	0.22610
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.089
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.300
High resolution limit [Å]	2.200	10.000	2.200
Rmerge	0.031	0.033	0.387
Rmeas	0.036	0.038	0.451
Number of reflections	26176	240	3189
<I/σ(I)>	22.88
Completeness [%]	99.5
Redundancy	3.8
CC(1/2)	0.999	0.997	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	288	100 mM Imidazol/MES, 60 mM calcium/magnesium chloride, 30% PEG 8000/ethylene glycol (w/v), 10 mM copper(II)chloride dehydrate