7Q5D

Structure of EPCR in a non-canonical conformation

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	2020-09-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979182
Spacegroup name	P 31 2 1
Unit cell lengths	70.470, 70.470, 96.635
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.880 - 1.800
R-factor	0.1841
Rwork	0.183
R-free	0.19460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l8j
RMSD bond length	0.012
RMSD bond angle	1.168
Data reduction software	XDS (BUILT=20200131)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.640	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.033	1.004
Rmeas	0.036	1.101
Rpim	0.015	0.447
Number of reflections	26315	1531
<I/σ(I)>	21.1	1.7
Completeness [%]	99.9	100
Redundancy	6.1	6
CC(1/2)	0.999	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M sodium-potassium tartrate, 20% w/v PEG 3350