6DXT

Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2018-05-23
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	C 1 2 1
Unit cell lengths	61.090, 85.440, 59.740
Unit cell angles	90.00, 100.29, 90.00

Refinement procedure

Resolution	30.070 - 1.950
R-factor	0.1962
Rwork	0.194
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 2G43
RMSD bond length	0.011
RMSD bond angle	1.495
Data reduction software	xia2
Data scaling software	Aimless (0.7.1)
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.050	30.050	2.000
High resolution limit [Å]	1.950	8.940	1.950
Rmerge	0.038	0.020	0.218
Rmeas	0.044	0.023	0.253
Rpim	0.022	0.013	0.128
Total number of observations	80002	757	5521
Number of reflections	20938	233	1428
<I/σ(I)>	16.2	32.8	4.8
Completeness [%]	95.2	95.6	92.9
Redundancy	3.8	3.2	3.9
CC(1/2)	0.999	0.999	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	1.5 M ammonium sulfate, 0.1 M bis-tris pH 7.0, 25% ethylene glycol (v/v), 1.1% DMSO (v/v)