8IPP

Crystal structure of the complex between an ankyrin and a parallel G-quadruplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2021-12-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953732
Spacegroup name	P 21 21 2
Unit cell lengths	76.759, 83.587, 31.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.380 - 2.007
Rwork	0.211
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.971
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.410	2.082
High resolution limit [Å]	2.007	2.010
Number of reflections	14343	1383
<I/σ(I)>	17.34
Completeness [%]	99.1
Redundancy	12.9
CC(1/2)	0.999	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M potassium chloride, 0.01 M magnesium chloride hexahydrate, 0.05 M MES monohydrate pH 5.6, 5% w/v polyethylene glycol 8,000