8IPF

Crystal structure of an ankyrin protein that can specifically recognize 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	2020-07-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95
Spacegroup name	P 1 21 1
Unit cell lengths	64.300, 59.068, 127.505
Unit cell angles	90.00, 100.56, 90.00

Refinement procedure

Resolution	49.250 - 2.010
R-factor	0.2273
Rwork	0.226
R-free	0.24860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.503
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.250	2.082
High resolution limit [Å]	2.010	2.010
Number of reflections	62810	6229
<I/σ(I)>	12.83
Completeness [%]	99.1
Redundancy	2
CC(1/2)	1.000	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	6% v/v ethylene glycol, 0.1 M citric acid pH 3.5, 10% w/v polyethylene glycol 6,000