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The crystal structure of anti-HIV_scFv

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2021-12-16
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	41.725, 76.120, 160.628
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.030 - 1.490
R-factor	0.1927
Rwork	0.192
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ubound Chimera
RMSD bond length	0.010
RMSD bond angle	1.075
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	XSCALE (Jan 31, 2020)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.030	1.543
High resolution limit [Å]	1.490	1.490
Rmerge	0.128	2.143
Rmeas	0.139	2.334
Rpim	0.052	0.911
Number of reflections	84467	8014
<I/σ(I)>	10.32	0.79
Completeness [%]	99.2	96.07
Redundancy	6.9	6.5
CC(1/2)	0.998	0.391

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	5% PEG 3350, 2M Ammonium Sulfate