7KLP

Crystal structure of a three-tetrad, parallel, K+ stabilized human telomeric G-quadruplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	196
Detector technology	PIXEL
Collection date	2018-04-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 6
Unit cell lengths	56.686, 56.686, 42.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.310 - 1.350
R-factor	0.1455
Rwork	0.142
R-free	0.17610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fxm
RMSD bond length	0.013
RMSD bond angle	1.414
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.18.2_3874)
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.170	1.360
High resolution limit [Å]	1.340	1.340
Rmerge	0.048	6.026
Rmeas	0.051	6.423
Rpim	0.017	2.187
Number of reflections	32545	809
<I/σ(I)>	17.3	0.4
Completeness [%]	99.4	91.4
Redundancy	8.9	8.2
CC(1/2)	1.000	0.320

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	50 mM Li Cac pH 7.2, 200 mM KCl, 500 mM (NH4)2SO4, 23% PEG400