8QTJ

Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	57.127, 75.159, 98.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.770 - 1.523
R-factor	0.2058
Rwork	0.204
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	AMoRE
Refinement software	BUSTER (2.11.8 (26-JUL-2023))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.647	1.722
High resolution limit [Å]	1.523	1.523
Rmerge	0.042	0.808
Rmeas	0.045	0.896
Rpim	0.018	0.378
Total number of observations	243593	10057
Number of reflections	37044	1853
<I/σ(I)>	17.5	1.9
Completeness [%]	56.8
Redundancy	6.6	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	8-11 % PEG8000, 2.5 % MPD, 0.05 M MgAcetate, 0.05 M PCTP pH 8