6XSD

Patient-derived B2GPI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	159.463, 167.566, 114.161
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.860 - 2.540
R-factor	0.2253
Rwork	0.225
R-free	0.23320
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]	50.000	50.000	2.650
High resolution limit [Å]	2.540	5.510	2.560
Rmerge	0.214	0.066	4.294
Rmeas	0.227	0.070	4.539
Rpim	0.075	0.023	1.451
Number of reflections	50299	5249	4985
<I/σ(I)>	6.8
Completeness [%]	99.9	99.7	100
Redundancy	8.6	8.4	9.1
CC(1/2)		0.998	0.249

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	100mM Hepes, pH 7.5, 1.8M Ammonium Sulfate