9NGE

The ubiquitin-associated domain of human thirty-eight negative kinase-1 rigidly fused to a double trigger variant of the 1TEL crystallization chaperone

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)	0.979460
Spacegroup name	C 1 2 1
Unit cell lengths	126.935, 77.487, 38.342
Unit cell angles	90.00, 106.99, 90.00

Refinement procedure

Resolution	36.670 - 2.020
R-factor	0.2139
Rwork	0.213
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.469
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]	36.670	2.092
High resolution limit [Å]	2.020	2.020
Rmerge	0.117	2.776
Rmeas	0.130	3.128
Rpim	0.057	1.405
Number of reflections	21733	1297
<I/σ(I)>	6.31	0.69
Completeness [%]	90.4	56.03
Redundancy	5.1	4.8
CC(1/2)	0.980	0.441

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2M Ammonium citrate tribasic pH 7.0, 20% w/v Polyethylene Glycol 3350