7MS7

Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (5-((4-(4-chlorophenyl)piperidin-1-yl)sulfonyl)picolinoyl)glycine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	61.556, 84.870, 59.542
Unit cell angles	90.00, 98.86, 90.00

Refinement procedure

Resolution	40.420 - 1.450
R-factor	0.17
Rwork	0.169
R-free	0.18080
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6nft
RMSD bond length	0.016
RMSD bond angle	1.959
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]	40.450	40.420	1.470
High resolution limit [Å]	1.450	7.940	1.450
Rmerge	0.054	0.034	0.624
Rmeas	0.060	0.037	0.683
Rpim	0.025	0.015	0.274
Total number of observations		2021	15095
Number of reflections	53141	347	2598
<I/σ(I)>	14.5	41.2	2.6
Completeness [%]	99.4	99.2	98.8
Redundancy	5.7	5.8	5.8
CC(1/2)	0.999	0.999	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	20% PEG3350, 0.2 M magnesium acetate