6SZW

Asymmetric complex of Factor XII and kininogen with gC1qR/C1QBP/P32 is governed by allostery

Experimental procedure

Experimental method	LAUE
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.69 - 2.07
Spacegroup name	I 1 2 1
Unit cell lengths	106.290, 71.560, 115.857
Unit cell angles	90.00, 110.64, 90.00

Refinement procedure

Resolution	90.990 - 3.140
R-factor	0.1981
Rwork	0.195
R-free	0.25050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p32
RMSD bond length	0.011
RMSD bond angle	1.463
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.990	3.360
High resolution limit [Å]	3.140	3.140
Rmerge	0.109
Number of reflections	14379	2571
<I/σ(I)>	6.4
Completeness [%]	99.8
Redundancy	3.1
CC(1/2)	0.953	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	283.15	0.1 M sodium cacodylate, 0.1 M calcium acetate, 12% (w/v) PEG 8000