6TQI

I-MOTIF STRUCTURE FORMED FROM THE C STRAND OF A HUMAN TELOMERE FRAGMENT

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	2013-04-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 62 2 2
Unit cell lengths	31.900, 31.900, 81.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.950
R-factor	0.2384
Rwork	0.239
R-free	0.22670
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.630	27.630	3.250
High resolution limit [Å]	2.900	6.490	2.900
Rmerge	0.036	0.036	0.045
Rmeas	0.037	0.037	0.046
Rpim	0.007	0.011	0.011
Total number of observations	21199
Number of reflections	704	86	183
<I/σ(I)>	79.6
Completeness [%]	99.7	99.8	99
Redundancy	30.1	20.7	33.7
CC(1/2)	0.999	0.999	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	285	15% PEG 400, 5 mM spermine, 50 mM 2-(N-morpholino)ethanesulfonic acid (MES)
1	VAPOR DIFFUSION, HANGING DROP	5.5	285	15% PEG 400, 5 mM spermine, 50 mM 2-(N-morpholino)ethanesulfonic acid (MES)
1	VAPOR DIFFUSION, HANGING DROP	5.5	285	15% PEG 400, 5 mM spermine, 50 mM 2-(N-morpholino)ethanesulfonic acid (MES)