3R8Q

Structure of Fibronectin domain 12-14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Spacegroup name	P 1 21 1
Unit cell lengths	52.010, 36.890, 75.970
Unit cell angles	90.00, 94.57, 90.00

Refinement procedure

Resolution	44.463 - 2.400
R-factor	0.1863
Rwork	0.184
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.186
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.728	44.463	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.055	0.258
Total number of observations		2430	4807
Number of reflections	10754
<I/σ(I)>	17.2	10	3
Completeness [%]	93.3	99.1	67.9
Redundancy	6.4	6.2	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1 M Na HEPES, 0.8 M sodium dihydrogen phosphate, 0.8 M potassium dihydrogen phosphate, supplemented with 35% glycerol for cryo-protection, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K