6ISW

Structure of human telomeric DNA with 5-selenophene-modified deoxyuridine at residue 12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 21 2 21
Unit cell lengths	35.204, 42.280, 49.924
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.280 - 2.300
R-factor	0.253
Rwork	0.252
R-free	0.28270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kf1
RMSD bond length	0.003
RMSD bond angle	0.612
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]	42.280	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.119	0.744
Number of reflections	7204	341
<I/σ(I)>	13.9	3.7
Completeness [%]	99.7
Redundancy	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.05M potassium cacodylate (pH = 7.2), 0.7M ammonium sulfate, 0.05M KCl, 0.01M CaCl2 and 12.5% PEG400.