7KW4

L-DNA containing 2'-fluoro modification

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	99
Detector technology	CCD
Collection date	2020-10-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 65 2 2
Unit cell lengths	32.330, 32.330, 75.580
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.497 - 1.030
R-factor	0.1668
Rwork	0.167
R-free	0.17380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d79
RMSD bond length	0.051
RMSD bond angle	4.650
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	1.050
High resolution limit [Å]	1.030	1.030
Rmerge	0.141	1.223
Rmeas	0.143
Rpim	0.025	0.562
Number of reflections	12016	398
<I/σ(I)>	19.9	1.7
Completeness [%]	97.8	65.9
Redundancy	29.4	5.5
CC(1/2)	0.995	0.346

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	0.08 M NaCl, 0.02 M MgCl2, 0.04 M Sodium Cacodylate trihydrate pH 5.5, 35% (v/v) MPD, 0.002 M hexammine cobalt(III) chloride