7OKT

X-ray structure of soluble EPCR in C2221 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	C 2 2 21
Unit cell lengths	75.295, 91.602, 123.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.800 - 1.950
R-factor	0.2223
Rwork	0.221
R-free	0.25650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lqv
RMSD bond length	0.014
RMSD bond angle	1.228
Data reduction software	XDS (BUILT=20190315)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.062	1.549
Rmeas	0.068	1.696
Rpim	0.027	0.684
Number of reflections	31475	2191
<I/σ(I)>	11.7	1.1
Completeness [%]	100.0	100
Redundancy	6.5	6.1
CC(1/2)	0.999	0.514

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	2.8 M Sodium acetate pH 7.0