7U4W

The ubiquitin-associated domain of human thirty-eight negative kinase-1 flexibly fused to the 1TEL crystallization chaperone via a 2-glycine linker and crystallized at traditional protein concentration

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 65
Unit cell lengths	67.971, 67.971, 55.749
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.480 - 2.100
R-factor	0.2469
Rwork	0.245
R-free	0.27560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2QAR (for 1TEL) homology model (UBA)
RMSD bond length	0.004
RMSD bond angle	0.565
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.480	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.041	1.088
Rmeas	0.042	1.129
Rpim	0.011	0.297
Number of reflections	8522	820
<I/σ(I)>	28.14	2.27
Completeness [%]	98.3	96.24
Redundancy	14.5	14.1
CC(1/2)	1.000	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	1.2 uL of 15 mg/mL protein combined with 1.2 uL of 100 mM Bis-Tris, pH 6.50, 750 mM Mg-Formate