7OKV

Crystal structure of soluble EPCR after exposure to the nonionic surfactant Polysorbate 20

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	2020-05-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97934
Spacegroup name	P 31 2 1
Unit cell lengths	71.051, 71.051, 103.153
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.530 - 1.850
R-factor	0.2142
Rwork	0.213
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lqv
RMSD bond length	0.005
RMSD bond angle	0.810
Data reduction software	XDS (BUILT=20190315)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.530	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.098
Rmeas	0.105
Rpim	0.037
Number of reflections	26239	1589
<I/σ(I)>	10.6	1.2
Completeness [%]	99.8	99.4
Redundancy	8.1	8.5
CC(1/2)	0.998	0.543

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	295	3.5 M Sodium formate, 0.1 M Sodium acetate pH 4.6