8Q00

TssM-Ub-PA complex - A USP-like DUB from B. pseudomallei (193-430) reacted with Ub-PA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 41 21 2
Unit cell lengths	103.750, 103.750, 191.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.220 - 1.620
R-factor	0.17473
Rwork	0.174
R-free	0.19822
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.760
Data reduction software	XDS (BUILT=20210323)
Data scaling software	XSCALE (BUILT=20210323)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	103.740	103.740	1.660
High resolution limit [Å]	1.620	7.240	1.620
Rmerge	0.076	0.039	2.335
Rmeas	0.080	0.042	2.425
Number of reflections	132701	1648	9702
<I/σ(I)>	18.54		1.19
Completeness [%]	99.9
Redundancy	13.42
CC(1/2)	0.999	0.997	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M ammonium citrate dibasic and 22 % w/v PEG 3350; 1:2, 1:1, 2:1 protein:reservoir ration; cryoprotected with reservoir + 25% ethylene glycol