9BZL

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	2021-04-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 32 2 1
Unit cell lengths	83.752, 83.752, 77.540
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.970 - 1.810
R-factor	0.1917
Rwork	0.190
R-free	0.21390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.034
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]	52.970	1.870
High resolution limit [Å]	1.810	1.810
Rmerge	0.048	0.994
Rmeas	0.054
Rpim	0.024	0.476
Number of reflections	54645	14435
<I/σ(I)>	20.8
Completeness [%]	99.6	98.4
Redundancy	5.1
CC(1/2)	0.998	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	298	0.1 M Sodium Citrate 15 mg/ml AurA