9YY0

IGHV4-34 germline-reverted antibody pre166

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95365
Spacegroup name	P 1 21 1
Unit cell lengths	61.463, 47.093, 71.154
Unit cell angles	90.00, 114.38, 90.00

Refinement procedure

Resolution	38.100 - 1.340
R-factor	0.2257
Rwork	0.224
R-free	0.25250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.056
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.090	1.370
High resolution limit [Å]	1.340	1.340
Rmerge	0.069	0.971
Rmeas	0.075	1.055
Rpim	0.029	0.406
Total number of observations		25388
Number of reflections	82481	3907
<I/σ(I)>	14.4	1.7
Completeness [%]	99.7
Redundancy	6.7	6.5
CC(1/2)	0.999	0.659

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Protein (6 mg/mL, in 25 mM Tris (pH 8.0) and 200 mM NaCl) was combined in a hanging drop format with an equal volume (4 micro-litres in total) of well solution comprising 100 mM BisTris (pH 5.55) and 29% (w/v) PEG3350. Needle-like crystals grew after several weeks at RT