3UKC

(S)-cEt-BNA decamer structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	26.130, 44.007, 45.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.600 - 1.540
R-factor	0.17885
Rwork	0.176
R-free	0.21499
Structure solution method	MOLREP, (CCP4)
Starting model (for MR)	3ey2
RMSD bond length	0.013
RMSD bond angle	2.642
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.640	1.580
High resolution limit [Å]	1.540	1.540
Rmerge	0.096
Number of reflections	8144
<I/σ(I)>	43.8
Completeness [%]	99.5	96.4
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	20 mM sodium cacodylate, 6 mM sodium chloride, 40 mM potassium chloride, 6 mM spermine tetrahydrochloride, 5% v/v MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K