6XAY

Structure of a fragment of human fibronectin containing the 10th, 11th and 12th type III domains

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 2
Unit cell lengths	125.085, 440.367, 60.474
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.400 - 2.480
Rwork	0.246
R-free	0.29600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dft
RMSD bond length	0.005
RMSD bond angle	0.746
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.400	2.570
High resolution limit [Å]	2.480	2.480
Rmeas	0.097	0.504
Rpim	0.033	0.234
Number of reflections	55470	20331
<I/σ(I)>	12.3	2.9
Completeness [%]	92.1
Redundancy	6.8
CC(1/2)	0.998	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.5M (NH4)2SO4, 0.1M Citric acid pH 4.0, 30%(v/v)PEG 600, 10%(v/v) glycerol