35YH

Crystal structure of covalent inhibitor 3-(2-chloroacetamido)-N-(3-hydroxyphenyl)benzamide bound to Ubiquitin C-terminal Hydrolase-L3

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-01-16
Detector	DECTRIS EIGER2 R 4M
Wavelength(s)	1.54184
Spacegroup name	P 1 21 1
Unit cell lengths	47.868, 84.991, 123.859
Unit cell angles	90.00, 97.93, 90.00

Refinement procedure

Resolution	20.150 - 2.600
R-factor	0.2613
Rwork	0.257
R-free	0.31590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.655
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.150	2.693
High resolution limit [Å]	2.600	2.600
Number of reflections	30188	3032
<I/σ(I)>	11.04	0.9
Completeness [%]	99.0	99.8
Redundancy	4.9	5
CC(1/2)	0.999	0.372

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Bis-tris propane, ammonium sulfate