Mass: 18.015 Da / Num. of mol.: 385 / Source method: isolated from a natural source / Formula: H2O
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Details
Sequence details
BASE NUMBERING CORRESPONDS TO STANDARD LAMBDA ATT SITE COORDINATES. BASES 19 - 47 ARE THOSE FOUND ...BASE NUMBERING CORRESPONDS TO STANDARD LAMBDA ATT SITE COORDINATES. BASES 19 - 47 ARE THOSE FOUND IN THE LAMBDA ATT SITE. THE TOP STRAND (CHAINS D AND E) WAS SYNTHESIZED AS TWO OLIGONUCLEOTIDES, RESULTING IN A NICK BETWEEN BASES 29 AND 30. THE BOTTOM STRAND (CHAIN C) WAS SYNTHESIZED AS A SINGLE 35 MER AND HAS BEEN ASSIGNED NEGATIVE RESIDUE NUMBERS SUCH THAT BASES WITH THE SAME ABSOLUTE VALUE ARE PAIRED. THE CRYSTALS PACK TO FORM A PSEUDO-CONTINUOUS HELIX, WITH THE OVERHANGING BASE 15 OF THE TOP STRAND PAIRED TO THE OVERHANGING BASE -50 OF A 21 NEIGHBORING COMPLEX'S BOTTOM STRAND.
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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: 2.89 Å3/Da / Density % sol: 58 %
Crystal grow
Method: vapor diffusion, hanging drop / pH: 7.4 / Details: pH 7.40, VAPOR DIFFUSION, HANGING DROP / Temp details: ROOM TEMPERATURE
Highest resolution: 2 Å / Lowest resolution: 15 Å / Observed criterion σ(I): -3 / Redundancy: 8.2 %
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Processing
Software
Name
Version
Classification
MLPHARE
phasing
RAVE
modelbuilding
X-PLOR
3.816
refinement
HKL
(DENZO)
datareduction
SCALEPACK
datascaling
RAVE
phasing
Refinement
Resolution: 2.5→15 Å / Cross valid method: R-FREE / σ(F): 0 Details: DIFFRACTION IS ANISOTROPIC. FALLS BELOW 2 ALONG X AT 2.5 ANGSTROM, ALONG Y AT 3.0 ANGSTROM, AND ALONG Z IS STILL >2 AT 2.2 ANGSTROM. THE COMPLETENESS OF THE DATA WITHIN AN ELLIPSOID WITH ...Details: DIFFRACTION IS ANISOTROPIC. FALLS BELOW 2 ALONG X AT 2.5 ANGSTROM, ALONG Y AT 3.0 ANGSTROM, AND ALONG Z IS STILL >2 AT 2.2 ANGSTROM. THE COMPLETENESS OF THE DATA WITHIN AN ELLIPSOID WITH THESE PRINCIPLE AXES IS 98.0%. THIS EXPLAINS THE LOW VALUE OF THE COMPLETENESS IN THE HIGHEST RESOLUTION BIN. THE REPORTED OVERALL RESOLUTION OF 2.5 ANGSTROM IS AN AVERAGE VALUE. DNA PARAMETERS FROM PARKINSON, G., VOJTECHOVSKY, J., CLOWNEY, L., BRUNGER, A.T. AND BERMAN, H.M. (1996) ACTA CRYST. D52, 57-64. NON-WATSON-CRICK BASE PAIRING: T C 28 REVERSE WATSON-CRICK BASE PAIR. T C 29 HOOGSTEEN BASE PAIR.
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