7TQA

Crystal Structure of monoclonal S9.6 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 31
Unit cell lengths	96.649, 96.649, 140.583
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.700 - 2.328
R-factor	0.182
Rwork	0.179
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	OTHER PDB DEPOSITION IN THIS WORK
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.700	2.411
High resolution limit [Å]	2.328	2.328
Number of reflections	62725	6284
<I/σ(I)>	9.24	1.55
Completeness [%]	99.6	99.35
Redundancy	14.6
CC(1/2)	0.996	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2 M ammonium sulfate, 50 mM Bis-Tris, 24% PEG 8000