9I0C

E3 ubiquitin ligase CBL-B in complex with inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98011
Spacegroup name	P 21 21 21
Unit cell lengths	57.183, 74.533, 97.499
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.750 - 2.123
R-factor	0.2158
Rwork	0.214
R-free	0.25390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.860
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AMoRE
Refinement software	BUSTER (2.11.8 (10-JUL-2024))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.750	2.170
High resolution limit [Å]	2.120	2.120
Rmerge	0.122	1.517
Rmeas	0.127	1.581
Rpim	0.035	0.433
Total number of observations	317742	15922
Number of reflections	23838	1293
<I/σ(I)>	13.5	1.3
Completeness [%]	97.7
Redundancy	13.3	12.3
CC(1/2)	0.998	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	9 % PEG8000, 0.05 M Mg Acetate, 2.5 % MPD, 0.05 M PCPT pH 8.0