6CQ3

Crystal structure of DNA dodecamer D(CGCGAATTCGCG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2018-01-25
Detector	RDI CMOS_8M
Wavelength(s)	1.0008
Spacegroup name	P 21 21 21
Unit cell lengths	24.330, 40.510, 65.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.384 - 1.300
R-factor	0.1506
Rwork	0.149
R-free	0.18860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8bna
RMSD bond length	0.011
RMSD bond angle	1.298
Data reduction software	XDS (2018/01/26)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.384	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.047	0.753
Rmeas	0.054	0.887
Rpim	0.021	0.446
Number of reflections	16300	47
<I/σ(I)>	25.8	2.4
Completeness [%]	99.0	98.7
Redundancy	9.6	7.1
CC(1/2)	1.000	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	10% (v/v) 2-Methyl-2,4-pentanediol, 40mM Sodium cacodylate trihydrate, 20mM Hexammine cobalt(III) chloride, 40mM Lithium chloride, 20mM Magnesium chloride hexahydrate