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 |