7KG4

Recombinant Beta-2-Glycoprotein I antibody recognition loop mutant

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]	100
Detector technology	PIXEL
Collection date	2020-07-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	.979
Spacegroup name	P 1 21 1
Unit cell lengths	116.209, 114.694, 124.293
Unit cell angles	90.00, 96.92, 90.00

Refinement procedure

Resolution	49.990 - 3.300
R-factor	0.2838
Rwork	0.283
R-free	0.29800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qub
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
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	3.360
High resolution limit [Å]	3.290	8.940	3.300
Rmerge	0.313	0.054	2.480
Rmeas	0.354	0.061	2.793
Rpim	0.163	0.028	1.259
Number of reflections	47077	2460	2210
<I/σ(I)>	4.2
Completeness [%]	97.3	98.4	91.8
Redundancy	4.4	4.4	4.4
CC(1/2)		0.996	0.151

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	100mM HEPES, pH 7.5, 1.8M Ammonium Sulfate, 20mM Calcium Chloride