3BM0
Structure of DNA Octamer G(dUSe)G(5-SedU)ACAC
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9797, 1.100, 0.9400 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 42.087, 42.087, 23.772 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.760 - 1.800 |
| R-factor | 0.211 |
| Rwork | 0.210 |
| R-free | 0.22600 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.900 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.112 | 0.440 |
| Number of reflections | 2087 | |
| <I/σ(I)> | 10.7 | 10 |
| Completeness [%] | 95.0 | 95 |
| Redundancy | 9.7 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 10% V/V MPD, 40 MM SODIUM CACODYLATE (PH 7.0), 12 MM SPERMINE TETRA-HCL, 80 MM SODIUM CHLORIDE., VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | SODIUM CACODYLATE | ||
| 3 | 1 | 1 | SPERMINE TETRA-HCL | ||
| 4 | 1 | 1 | NaCl | ||
| 5 | 1 | 2 | MPD | ||
| 6 | 1 | 2 | SODIUM CACODYLATE | ||
| 7 | 1 | 2 | SPERMINE TETRA-HCL | ||
| 8 | 1 | 2 | NaCl |
