7SFX

10A1 Fab in complex with CD99 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	65.410, 131.550, 119.811
Unit cell angles	90.00, 90.12, 90.00

Refinement procedure

Resolution	46.380 - 3.100
R-factor	0.2318
Rwork	0.226
R-free	0.24770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xza
RMSD bond length	0.006
RMSD bond angle	1.055
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.150
High resolution limit [Å]	3.100	3.100
Rmeas	0.157	0.456
Rpim	0.069	0.198
Number of reflections	36430	1834
<I/σ(I)>	10.97	4.35
Completeness [%]	98.9	99.3
Redundancy	5.1	5.2
CC(1/2)	0.991	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2 M lithium sulfate monohydrate, 0.1 M HEPES, pH 7.3, 25% PEG3350, and 0.1 M L-Proline