6GZ6

Structure of a left-handed G-quadruplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.999996
Spacegroup name	P 21 21 21
Unit cell lengths	29.570, 37.630, 54.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.925 - 2.006
R-factor	0.1869
Rwork	0.185
R-free	0.23080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m5u
RMSD bond length	0.008
RMSD bond angle	0.997
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.000	2.130
High resolution limit [Å]	2.000	2.010
Number of reflections	4341	646
<I/σ(I)>	18.3	3.95
Completeness [%]	98.9	93.6
Redundancy	13	13.4
CC(1/2)	0.999	0.958

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	40% MPD, 12mM Spermine, 80mM KCl, 20mM BaCl2, 40mM NaCacodylate pH7.0