2H05
Br Derivitation of A-DNA Octamer GTG(Ubr)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 | 2006-05-06 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9199, 0.9202, 0.9400, 1.100 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 42.048, 42.048, 24.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.810 - 1.800 |
| R-factor | 0.213 |
| Rwork | 0.213 |
| R-free | 0.24800 |
| Structure solution method | MAD, SAD |
| Starting model (for MR) | 1z7i |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.900 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.810 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.045 | 0.313 |
| Number of reflections | 2248 | |
| <I/σ(I)> | 12.1 | 2.7 |
| Completeness [%] | 99.4 | 95.8 |
| Redundancy | 12.1 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 283 | 8mM MgCl2, 4mM Spermine, 40% MPD, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 283K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MgCl2 | ||
| 2 | 1 | 1 | Spermine | ||
| 3 | 1 | 1 | MPD | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | MgCl2 | ||
| 6 | 1 | 2 | Spermine | ||
| 7 | 1 | 2 | MPD |
