5N48

Structure of Anticalin N9B in complex with extra-domain B 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	2011-12-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91741
Spacegroup name	P 1 21 1
Unit cell lengths	52.456, 67.801, 76.806
Unit cell angles	90.00, 90.06, 90.00

Refinement procedure

Resolution	28.470 - 1.600
R-factor	0.1707
Rwork	0.169
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gh7
RMSD bond length	0.019
RMSD bond angle	1.918
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]	28.470	28.470	1.700
High resolution limit [Å]	1.600	10.000	1.600
Rmerge	0.057	0.032	0.423
Rmeas	0.065	0.037	0.485
Total number of observations	296035
Number of reflections	70827	302	11714
<I/σ(I)>	14.85	31.99	3.33
Completeness [%]	99.7	93.2	99.8
Redundancy	4.18	3.894	4.172
CC(1/2)	0.998	0.998	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	29 % (w/v) PEG4000, 0.1 M Na-malonate