9CB5

Crystal structure of nucleolin in complex with MYC promoter G-quadruplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03317
Spacegroup name	P 21 21 21
Unit cell lengths	75.253, 134.660, 185.259
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.430 - 2.600
R-factor	0.2331
Rwork	0.232
R-free	0.25420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.556
Data reduction software	HKL-2000 (v722)
Data scaling software	HKL-2000 (v722)
Phasing software	PHENIX (1.21.1_5286)
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.430	2.670
High resolution limit [Å]	2.600	2.600
Rmeas	0.246	2.170
Rpim	0.094	0.858
Number of reflections	56511	3575
<I/σ(I)>	7.38	0.89
Completeness [%]	96.8	87.34
Redundancy	6.4	5.9
CC(1/2)	0.990	0.210

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	100 mM HEPES pH 7.5, 20% PEG 8000, 3% glycerol