9D9Q

Crystal structure of IgG1 FC M252R at pH 8.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	110
Detector technology	PIXEL
Collection date	2024-01-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.972
Spacegroup name	P 21 21 21
Unit cell lengths	48.667, 78.930, 137.658
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.400 - 2.820
R-factor	0.2873
Rwork	0.284
R-free	0.36720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.194
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.870	3.540
High resolution limit [Å]	2.820	3.360
Rmerge	0.190	1.790
Rmeas	0.403	0.900
Rpim	0.116	0.980
Number of reflections	15165	2145
<I/σ(I)>	6.8
Completeness [%]	99.9
Redundancy	12.1	12
CC(1/2)	0.993	0.414

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M Tris pH 8.0 and 0.08M Sodium formate and 7.5% PEG20K