7MS6

Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (2-fluoro-4-((4-phenylpiperidin-1-yl)sulfonyl)benzoyl)glycine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2020-11-02
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 43
Unit cell lengths	53.575, 53.575, 54.097
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.070 - 1.550
R-factor	0.1486
Rwork	0.148
R-free	0.16380
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6nft
RMSD bond length	0.015
RMSD bond angle	1.978
Data reduction software	xia2
Data scaling software	Aimless (0.7.4)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.100	38.070	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.044	0.062	0.115
Rmeas	0.047	0.067	0.125
Rpim	0.016	0.025	0.049
Total number of observations		1002	6918
Number of reflections	22155	144	1082
<I/σ(I)>	33.5	47.8	13.7
Completeness [%]	99.3	99.2	97.3
Redundancy	7.8	7	6.4
CC(1/2)	0.998	0.993	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	2 M ammonium sulfate, 0.2 M sodium acetate, 0.1 M HEPES pH 7.5, 5% MPD