9WVI

Crystal structure of TONSL UBL mutant - R934W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER IMUS DIAMOND MICROFOCUS
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-15
Detector	Bruker PHOTON III
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	39.884, 81.109, 102.497
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.550 - 2.190
R-factor	0.2065
Rwork	0.204
R-free	0.24320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.947
Data reduction software	PROTEUM PLUS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.550	2.330
High resolution limit [Å]	2.190	2.190
Rmerge	0.120	1.353
Rmeas	0.129	1.463
Rpim	0.047	0.552
Number of reflections	17783	5511
<I/σ(I)>	12.24	1.33
Completeness [%]	99.9	99.86
Redundancy	7.5	7
CC(1/2)	0.999	0.543

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	0.15 M Calcium chloride dihydrate, 0.1 M MES 6.2, 15 % v/v PEG 3350, 5 % v/v Glycerol