9KCQ

Crystal structure of an ankyrin protein in complex with G-quadruplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2022-06-16
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.953732
Spacegroup name	P 21 21 21
Unit cell lengths	41.957, 67.747, 70.737
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.090 - 1.770
R-factor	0.1818
Rwork	0.181
R-free	0.19980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mj0 193d
RMSD bond length	0.012
RMSD bond angle	1.456
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]	36.090	1.804
High resolution limit [Å]	1.770	1.774
Number of reflections	20160	1978
<I/σ(I)>	21.3
Completeness [%]	99.9
Redundancy	13.3
CC(1/2)	1.000	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.08 M magnesium acetate tetrahydrate, 0.05 M sodium cacodylate trihydrate pH 6.5, 30% w/v polyethylene glycol 4,000