8F5C

Mirror-image DNA containing 2'-OMe-L-dC modification

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]	99
Detector technology	CCD
Collection date	2022-10-15
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	P 41 21 2
Unit cell lengths	41.900, 41.900, 23.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.710 - 1.150
R-factor	0.19318
Rwork	0.193
R-free	0.20362
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7moo
RMSD bond length	0.037
RMSD bond angle	3.357
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.820	1.180
High resolution limit [Å]	1.150	1.150
Rmerge	0.040	0.723
Rmeas	0.043	0.795
Rpim	0.016	0.325
Number of reflections	7947	558
<I/σ(I)>	28.1	3
Completeness [%]	99.8	97.4
Redundancy	13	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M Magnesium chloride, 0.1 M HEPES sodium pH 7.5, 20% v/v (+/-)-2-Methyl-2,4-pentanediol