9N97

Crystal structure of the cysteine-free anti-UTag intrabody

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	2022-10-02
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	40.679, 74.521, 157.394
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.900 - 1.450
R-factor	0.1747
Rwork	0.174
R-free	0.21410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.881
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	XSCALE (Jan 31, 2020)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.21.2-5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.900	1.490
High resolution limit [Å]	1.450	1.450
Rmerge	0.037	0.850
Rmeas	0.052	1.201
Rpim	0.037	0.850
Number of reflections	84215	4729
<I/σ(I)>	11.24	0.78
Completeness [%]	98.0	78.06
Redundancy	2	1.9
CC(1/2)	0.999	0.394

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	2M Ammonium Sulfate, 0.1M BIS-TRIS pH7, 3% PEG 3350