7PRK

Factor XII Fibronectin type II (FXII FnII) domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.2821
Spacegroup name	P 41 21 2
Unit cell lengths	45.820, 45.820, 53.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.800 - 1.640
R-factor	0.1713
Rwork	0.170
R-free	0.20420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FXII FnII from unpublished structure
RMSD bond length	0.011
RMSD bond angle	1.555
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.800	1.670
High resolution limit [Å]	1.640	1.640
Number of reflections	7469	351
<I/σ(I)>	26.6
Completeness [%]	100.0
Redundancy	10.2
CC(1/2)	0.999	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292.15	0.1 M Sodium Cacodylate, 25 % (w/v) PEG 4000