6XCL

Crystal Structure of human telomeric DNA G-quadruplex in complex with a novel platinum(II) complex.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-02-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 3
Unit cell lengths	64.030, 64.030, 42.230
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.600 - 2.700
R-factor	0.1938
Rwork	0.191
R-free	0.24320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t5e
RMSD bond length	0.009
RMSD bond angle	1.157
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.900
High resolution limit [Å]	2.700	2.700
Number of reflections	10637	2054
<I/σ(I)>	14.28	2.51
Completeness [%]	99.8	99.7
Redundancy	5.8	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	285	100 mM KCl, 10 mM MgCl2, 50 mM MES (pH 6.0), 10% PEG 400