9O0H

The ubiquitin-associated domain of human thirty-eight negative kinase 1, fused to the 3TEL crystallization chaperone via a 2-glycine linker

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	55.152, 65.540, 112.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.200 - 2.240
R-factor	0.2257
Rwork	0.224
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.491
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.200	2.324
High resolution limit [Å]	2.240	2.244
Rmerge	0.172	1.581
Rmeas	0.197	1.807
Rpim	0.092	0.846
Number of reflections	19277	1721
<I/σ(I)>	3.4	0.69
Completeness [%]	93.6	86.48
Redundancy	3.7	3.7
CC(1/2)	0.991	0.387

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	1.5M Ammonium Chloride, 0.1M BIS-TRISpropane pH 7