5DFT

Structure of the Eleventh Type III Domain from Human Fibronectin

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-03
Detector	PSI PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	82.493, 107.402, 210.337
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.902 - 2.500
R-factor	0.1968
Rwork	0.193
R-free	0.24810
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.360
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	32405
<I/σ(I)>	10.8	1.9
Completeness [%]	99.2	99.1
Redundancy	4.7	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.1M sodium citrate, 0.1M citric acid and 0.1M sodium iodine
1	VAPOR DIFFUSION, SITTING DROP		293	1.1M sodium citrate, 0.1M citric acid and 0.1M sodium iodine