6XST

Recombinant Beta-2-Glycoprotein I with putative membrane insertion loop

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	277
Detector technology	PIXEL
Collection date	2019-02-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	C 2 2 21
Unit cell lengths	159.188, 175.225, 113.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	87.610 - 2.920
R-factor	0.2263
Rwork	0.226
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qub
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	3.010
High resolution limit [Å]	2.910	6.270	2.910
Rmerge	0.206	0.062	2.610
Rmeas	0.222	0.067	2.812
Rpim	0.081	0.025	1.037
Total number of observations	253404
Number of reflections	34541	3613	3427
<I/σ(I)>	3.8
Completeness [%]	99.7	99.4	99.9
Redundancy	7.3	7	7.2
CC(1/2)		0.998	0.201

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			100mM Hepes, pH 7.5, 1.8M Ammonium Sulfate