A: DNA (5'-D(*CP*GP*AP*AP*TP*TP*AP*AP*TP*TP*CP*G)-3') B: DNA (5'-D(*CP*GP*AP*AP*TP*TP*AP*AP*TP*TP*CP*G)-3') C: DNA (5'-D(*CP*GP*AP*AP*TP*TP*AP*AP*TP*TP*CP*G)-3') D: DNA (5'-D(*CP*GP*AP*AP*TP*TP*AP*AP*TP*TP*CP*G)-3') E: DNA (5'-D(*CP*GP*AP*AP*TP*TP*AP*AP*TP*TP*CP*G)-3') F: DNA (5'-D(*CP*GP*AP*AP*TP*TP*AP*AP*TP*TP*CP*G)-3') hetero molecules
Mass: 18.015 Da / Num. of mol.: 54 / Source method: isolated from a natural source / Formula: H2O
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 2.61 Å3/Da / Density % sol: 52.85 %
Crystal grow
Temperature: 281.15 K / Method: vapor diffusion, hanging drop Details: Sodium Cacodylate Buffer pH 6.5, MPD 50%, Nickel II, Magnesium II
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Data collection
Diffraction
Mean temperature: 100 K
Diffraction source
Source: ROTATING ANODE / Type: RIGAKU / Wavelength: 1.54179 Å
Detector
Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Jan 12, 2010
Radiation
Monochromator: Mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.54179 Å / Relative weight: 1
Reflection twin
Crystal-ID
ID
Operator
Domain-ID
Fraction
1
1
H, K, L
1
0.418
1
1
-K, -H, -L
2
0.103
1
1
-h,-k,l
3
0.346
1
1
K, H, -L
4
0.133
Reflection
Resolution: 2.6→38.78 Å / Num. obs: 6470 / % possible obs: 97 % / Redundancy: 5.2 % / Biso Wilson estimate: 62 Å2 / Rmerge(I) obs: 0.106 / Net I/σ(I): 2.6
Reflection shell
Resolution: 2.6→2.75 Å / Redundancy: 4.6 % / Rmerge(I) obs: 0.637 / % possible all: 69.5
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0073
refinement
iMOSFLM
datareduction
SCALA
datascaling
AMoRE
phasing
Refinement
Resolution: 2.64→38.78 Å / Cor.coef. Fo:Fc: 0.946 / Cor.coef. Fo:Fc free: 0.909 / SU B: 17.204 / SU ML: 0.314 / Cross valid method: THROUGHOUT / ESU R: 0.295 / ESU R Free: 0.069 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2469
315
5 %
RANDOM
Rwork
0.22731
-
-
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obs
0.22824
5988
96.26 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å