9BZG

Targeting N-Myc in Neuroblastoma with Selective Aurora Kinase A Degraders

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 32 2 1
Unit cell lengths	84.648, 84.648, 78.873
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.700 - 1.800
R-factor	0.188
Rwork	0.186
R-free	0.21960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.980
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.700	1.896
High resolution limit [Å]	1.800	1.800
Rmerge	0.051	0.754
Rmeas	0.061	0.894
Rpim	0.032	0.476
Number of reflections	55763	8325
<I/σ(I)>	11.84
Completeness [%]	98.8	99.9
Redundancy	3.3
CC(1/2)	0.998	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1 M Sodium Citrate 16% PEG 3000 15 mg/mL AurA