9MVX

Crystal structure of knob-in-hole immunoglobulin G1 Fc heterodimer with P374A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96546
Spacegroup name	P 21 21 21
Unit cell lengths	49.763, 81.014, 136.076
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.400 - 1.840
R-factor	0.2131
Rwork	0.211
R-free	0.25470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.005
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.611	1.867
High resolution limit [Å]	1.836	1.836
Rmerge	0.076	2.430
Rmeas	0.083	2.653
Rpim	0.033	1.053
Number of reflections	45521	2374
<I/σ(I)>	9.8	0.7
Completeness [%]	93.0	99.2
Redundancy	6.2	6.2
CC(1/2)	0.994	0.458

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	5% MPD, 0.1 M HEPES pH 7.5, 10% PEG 1000