6AU4

Crystal structure of the major quadruplex formed in the human c-MYC promoter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	65.663, 69.811, 32.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.906 - 2.350
R-factor	0.2229
Rwork	0.220
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wo2 1xav
RMSD bond length	0.009
RMSD bond angle	1.080
Data reduction software	XDS (Nov 1, 2016)
Data scaling software	XDS (Nov 1, 2016)
Phasing software	PHASER ((1.10.1_2155: ???))
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.030	2.430
High resolution limit [Å]	2.350	2.350
Rpim	0.013	0.167
Number of reflections	6774
<I/σ(I)>	34	4.4
Completeness [%]	99.4	99.7
Redundancy	12.6	12.9
CC(1/2)	1.000	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	20% MPD 300mM KCl 50mM LiCl 50mM Sodium cacodylate