6NFT

Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (4-oxoquinazolin-3(4H)-yl)acetic 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	2018-05-28
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	C 1 2 1
Unit cell lengths	61.870, 85.040, 59.840
Unit cell angles	90.00, 99.00, 90.00

Refinement procedure

Resolution	26.940 - 1.650
R-factor	0.1816
Rwork	0.180
R-free	0.20620
RMSD bond length	0.011
RMSD bond angle	1.655
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.940	26.940	1.680
High resolution limit [Å]	1.650	9.040	1.650
Rmerge	0.084	0.031	0.916
Rmeas	0.097	0.036	1.064
Rpim	0.048	0.018	0.532
Total number of observations	147086
Number of reflections	36423	230	1755
<I/σ(I)>	10.7
Completeness [%]	99.2	96.8	97.7
Redundancy	4	3.7	3.9
CC(1/2)	0.998	0.998	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	2 M sodium/potassium phosphate pH 7.0, 1.1% DMSO (v/v), 25% ethylene glycol (v/v)