5N47

Structure of Anticalin N7E in complex with the three-domain fragment Fn7B8 of human 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	2012-07-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	P 41 21 2
Unit cell lengths	135.148, 135.148, 203.939
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 3.000
R-factor	0.2096
Rwork	0.208
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gh7
RMSD bond length	0.009
RMSD bond angle	1.308
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	3.100
High resolution limit [Å]	3.000	10.000	3.000
Rmerge	0.124	0.030	1.059
Rmeas	0.129	0.031	1.096
Total number of observations	564576
Number of reflections	38486	1145	3528
<I/σ(I)>	21.7	59.53	3.08
Completeness [%]	99.9	96.5	100
Redundancy	14.67	11.997	15.065
CC(1/2)	0.999	1.000	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	17 % (w/v) PEG3350, 0.2 M NaCl, 0.1 M Na-malonate