6IP7

Structure of human telomeric DNA with 5-Selenophene-modified deoxyuridine at residue 11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 6
Unit cell lengths	56.483, 56.483, 42.415
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.916 - 1.550
R-factor	0.1907
Rwork	0.189
R-free	0.21290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kf1
RMSD bond length	0.012
RMSD bond angle	1.424
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.058	0.898
Number of reflections	22608	563
<I/σ(I)>	23.6
Completeness [%]	100.0
Redundancy	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.05M potassium cacodylate (pH7.2), 0.625M ammonium acetate, 0.2M KCl, 15% PEG400