1V9G
Neutron Crystallographic analysis of the Z-DNA hexamer CGCGCG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | NUCLEAR REACTOR |
| Source details | JRR-3M BEAMLINE 1G-A |
| Synchrotron site | JRR-3M |
| Beamline | 1G-A |
| Temperature [K] | 298 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 2003-06-10 |
| Detector | BIX-3M |
| Wavelength(s) | 2.88 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 18.460, 30.760, 43.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.050 - 1.800 |
| R-factor | 0.229 |
| Rwork | 0.222 |
| R-free | 0.29400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iot |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.830 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.127 | 0.208 |
| Number of reflections | 2627 | |
| <I/σ(I)> | 6.2 | 3.5 |
| Completeness [%] | 73.7 | 40.9 |
| Redundancy | 2 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 7 | 328 | MPD, sodium cacodylate, magnesium chloride, spermine, pH 7.0, SMALL TUBES, temperature 328K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | sodium cacodylate | ||
| 3 | 1 | 1 | MgCl2 | ||
| 4 | 1 | 1 | spermine | ||
| 5 | 1 | 2 | MPD | ||
| 6 | 1 | 2 | sodium cacodylate | ||
| 7 | 1 | 2 | MgCl2 |
