8SSI

Structure of Burkholderia pseudomallei deubiquitinase TssM in complex with ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.999903
Spacegroup name	P 41 21 2
Unit cell lengths	104.517, 104.517, 193.801
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.760 - 2.500
R-factor	0.2283
Rwork	0.227
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.590
Data reduction software	DIALS (3.10)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.760	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.045	0.393
Number of reflections	38023	4205
<I/σ(I)>	8.9	1.2
Completeness [%]	100.0	100
Redundancy	1.9	1.9
CC(1/2)	0.996	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	1.4 M Sodium phosphate monobasic monohydrate/Potassium phosphate dibasic pH 5.6