1ZFH
TTA Duplex B-DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 103 |
| Detector technology | CCD |
| Collection date | 2004-02-26 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 61.807, 24.348, 41.852 |
| Unit cell angles | 90.00, 122.74, 90.00 |
Refinement procedure
| Resolution | 17.600 - 2.510 |
| R-factor | 0.324 |
| Rwork | 0.320 |
| R-free | 0.35900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NDB ENTRY BD0028 |
| RMSD bond angle | 2.943 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.038 | 0.403 |
| Number of reflections | 1742 | |
| <I/σ(I)> | 16.5 | 1.3 |
| Completeness [%] | 92.6 | 67.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 298 | Na Cacodylate, CaCl2, Spermine, MPD in resevoir, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 7.00 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Na Cacodylate | ||
| 2 | 1 | 1 | CaCl2 | ||
| 3 | 1 | 1 | Spermine | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | Na Cacodylate | ||
| 7 | 1 | 2 | CaCl2 | ||
| 8 | 1 | 2 | MPD | ||
| 9 | 1 | 2 | H2O |
