4YS5

DNA sequence containing 2'-Se-dC modification

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	80
Detector technology	CCD
Collection date	2014-12-01
Detector	MAR CCD 165 mm
Wavelength(s)	0.987
Spacegroup name	P 43 21 2
Unit cell lengths	41.621, 41.621, 25.067
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.080 - 1.650
R-factor	0.22695
Rwork	0.225
R-free	0.26294
RMSD bond length	0.014
RMSD bond angle	1.929
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	2939
<I/σ(I)>	52.9	3.16
Completeness [%]	99.7	97.3
Redundancy	14.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	10% MPD, sodium cacodylate, sodium chloride, barium chloride