7OKS

X-ray structure of soluble EPCR in P212121 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 21 21 21
Unit cell lengths	78.437, 94.019, 124.595
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.320 - 1.950
R-factor	0.201
Rwork	0.199
R-free	0.23930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lqv
RMSD bond length	0.009
RMSD bond angle	1.077
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]	41.530	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.089	1.081
Rmeas	0.097
Rpim	0.038	0.447
Number of reflections	67837	4494
<I/σ(I)>	10.1	1.6
Completeness [%]	99.9	99.9
Redundancy	6.5	6.8
CC(1/2)	0.998	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	2.8 M sodium acetate pH 8.0, 0.1 M Tris pH 7.0