8ACI

Structure of ARG-117 Fab in complex with a fragment of complement C2, neutral pH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	71.590, 88.760, 144.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.160 - 1.850
R-factor	0.1877
Rwork	0.187
R-free	0.19940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ani
RMSD bond length	0.011
RMSD bond angle	0.975
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.160	1.916
High resolution limit [Å]	1.850	1.850
Rmerge	0.139	4.450
Number of reflections	79409	7809
<I/σ(I)>	19.68
Completeness [%]	100.0	99.99
Redundancy	52.1	44.1
CC(1/2)	1.000	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	The reservoirs contained 50-70% MPD, 100 mM Hepes pH 7.0-7.4