6X5D

Structure of Dickerson-Drew Dodecamer with 2'-MeSe-ara-T modification

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	99
Detector technology	CCD
Collection date	2019-04-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.969
Spacegroup name	P 21 21 21
Unit cell lengths	25.350, 40.018, 65.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.180 - 1.150
R-factor	0.2078
Rwork	0.207
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	355d
RMSD bond length	0.019
RMSD bond angle	2.080
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.038	0.249
Rmeas	0.040	0.262
Rpim	0.011	0.077
Number of reflections	24146	1078
<I/σ(I)>	45
Completeness [%]	98.6	93.5
Redundancy	13.5	10.8
CC(1/2)	1.000	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298.15	2-Methyl-2,4-pentanediol, Sodium cacodylate trihydrate, Spermine tetrahydrochloride, Sodium chloride, Potassium chloride, Magnesium chloride hexahydrate