8EK5

Engineered scFv 10LH bound to PHOX2B/HLA-A24:02

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	47.087, 174.562, 47.193
Unit cell angles	90.00, 118.75, 90.00

Refinement procedure

Resolution	43.680 - 2.110
R-factor	0.18319
Rwork	0.181
R-free	0.21245
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7mja
RMSD bond length	0.008
RMSD bond angle	1.296
Data reduction software	XDS (Jan 10,2022)
Data scaling software	Aimless (0.7.7)
Phasing software	PHENIX (1.19.2-4158)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.680	2.115
High resolution limit [Å]	2.108	2.108
Rmerge	0.095	0.644
Rmeas	0.111	0.776
Rpim	0.057	0.389
Number of reflections	37369	377
<I/σ(I)>	4.5	2.2
Completeness [%]	97.4	98.7
Redundancy	3.8	3.7
CC(1/2)	0.995	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	20% PEG 3350, 0.2M Sodium Nitrate