9XZB

E3 ubiquitin-protein ligase CBL-B in complex with compound 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	74.720, 97.750, 57.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.880 - 1.750
R-factor	0.1975
Rwork	0.196
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.572
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.900	1.810
High resolution limit [Å]	1.750	1.750
Rpim	0.044	0.692
Number of reflections	43167	4215
<I/σ(I)>	9.1
Completeness [%]	99.9
Redundancy	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM MES pH 5.6-6.2, 200 mM LiSO4, 16-20% PEG 3350, 10 mM DTT