3MQL

Crystal structure of the fibronectin 6FnI1-2FnII7FnI fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	I 41 2 2
Unit cell lengths	103.947, 103.947, 102.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.973 - 3.004
R-factor	0.2026
Rwork	0.201
R-free	0.23050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	INDIVIDUAL DOMAINS FROM PDB ENTRIES 2CG7 2rky 3ejh 1eak 1h8p 1l6j
RMSD bond length	0.004
RMSD bond angle	0.776
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.974	3.170
High resolution limit [Å]	3.004	3.000
Rmerge		0.473
Number of reflections	5835
<I/σ(I)>	27	1.7
Completeness [%]	99.7	98.6
Redundancy	7.1	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1:1 drops of of protein in 100 mM NaCl, 10mM HEPES pH 7.2 buffer at 17.5 mg/ml concentration, and a 0.2 M (NH4)H2PO4, 0.1 M Tris-Cl pH 8.5, 50% MPD buffer, VAPOR DIFFUSION, SITTING DROP, temperature 293K