3ULM
X-ray Diffraction Studies of Ring Crystals obtained for d(CACGCG).d(CGCGTG): Stage (ii) Hexagonal plates with spots
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-26 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 65 |
| Unit cell lengths | 17.489, 17.489, 41.729 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.150 - 3.010 |
| R-factor | 0.19924 |
| Rwork | 0.196 |
| R-free | 0.23283 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Z-type DNA Dinucleotide step built using InsightII |
| RMSD bond length | 0.021 |
| RMSD bond angle | 3.939 |
| Data reduction software | AUTOMAR |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.120 |
| High resolution limit [Å] | 3.000 | 3.010 |
| Rmerge | 0.111 | 0.404 |
| Number of reflections | 147 | |
| <I/σ(I)> | 3.3 | 1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.8 | 6.67 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1mM DNA, 75mM sodium cacodylate trihydrate buffer (pH 7.0), 0.5mM cobalt hexammine chloride, 0.75mM spermine, equilibrated against 50% methyl pentane diol (MPD) , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
