7MS5

Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 4-(4-(4-(3,4-difluoro-phenyl)-piperidin-1-ylsulfonyl)-phenyl)-4-oxo-butanoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2019-11-26
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	C 1 2 1
Unit cell lengths	61.697, 84.494, 59.642
Unit cell angles	90.00, 98.27, 90.00

Refinement procedure

Resolution	29.530 - 1.980
R-factor	0.184
Rwork	0.182
R-free	0.21630
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6nft
RMSD bond length	0.010
RMSD bond angle	1.405
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.010
High resolution limit [Å]	1.980	5.370	1.980
Rmerge	0.101	0.052	0.484
Rmeas	0.116	0.060	0.586
Rpim	0.057	0.029	0.322
Total number of observations	81870
Number of reflections	20206	1073	889
<I/σ(I)>	6.9
Completeness [%]	95.5	98.2	83.5
Redundancy	4.1	4	2.8
CC(1/2)		0.997	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	1 M sodium/potassium phosphate pH 6.9