4GH7

Crystal structure of Anticalin N7A in complex with oncofetal fibronectin fragment Fn7B8

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	CCD
Collection date	2010-12-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	P 43 21 2
Unit cell lengths	107.126, 107.126, 233.156
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.600
R-factor	0.22
Rwork	0.218
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qqs 3t1w
RMSD bond length	0.008
RMSD bond angle	1.081
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000		2.700
High resolution limit [Å]	2.600	15.000	2.600
Rmerge	0.078	0.022	0.740
Rmeas		0.024	0.795
Number of reflections	42537	252	4476
<I/σ(I)>	20.04	49.34	2.73
Completeness [%]	99.8	88.4	100
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	17-19%(w/v) PEG3350, 0.1M Na-citrate, pH 5.5-6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K