7OKU

X-ray structure of soluble EPCR in P3121 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	P 31 2 1
Unit cell lengths	70.619, 70.619, 97.367
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.090 - 1.950
R-factor	0.1997
Rwork	0.198
R-free	0.23550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lqv
RMSD bond length	0.014
RMSD bond angle	1.444
Data reduction software	XDS (BUILT=20190315)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.120	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.067
Rmeas	0.071
Rpim	0.023
Number of reflections	21046	1463
<I/σ(I)>	14.2	0.9
Completeness [%]	100.0	100
Redundancy	9.7	9.4
CC(1/2)	0.999	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	295	2.0 M Sodium formate, 0.1 M Sodium acetate pH 4.6