8V8F

The co-crystal structure of anti-HIV scFv and Utag

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2022-12-22
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	54.467, 61.824, 85.577
Unit cell angles	68.83, 77.90, 71.38

Refinement procedure

Resolution	45.710 - 2.270
R-factor	0.2276
Rwork	0.225
R-free	0.27490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.623
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	pointless (Jan 31, 2020)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.21.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.710	2.351
High resolution limit [Å]	2.270	2.270
Rmerge	0.243	1.059
Rmeas	0.344	1.498
Rpim	0.243	1.059
Number of reflections	42832	3973
<I/σ(I)>	4.77	0.78
Completeness [%]	94.2	87.85
Redundancy	1.8	1.9
CC(1/2)	0.019	0.304

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH 6.5, 25% w/v Polyethylene glycol 3,350