6DXH

Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 4-(4-tert-butylphenyl)-4-oxobutanoate

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	I 2 2 2
Unit cell lengths	47.690, 81.500, 99.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.560 - 2.000
R-factor	0.2156
Rwork	0.214
R-free	0.25120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 2G43
RMSD bond length	0.012
RMSD bond angle	1.560
Data reduction software	xia2
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.540	31.540	2.050
High resolution limit [Å]	2.000	8.950	2.000
Rmerge	0.054	0.024	0.451
Rmeas	0.059	0.026	0.487
Rpim	0.022	0.011	0.183
Total number of observations	93762	998	6663
Number of reflections	13422	180	957
<I/σ(I)>	23	60.4	4.4
Completeness [%]	99.4	97.5	98.3
Redundancy	7	5.5	7
CC(1/2)	1.000	0.999	0.963

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), 2.25% DMSO (v/v)