4HW1
Multiple Crystal structures of an all-AT DNA dodecamer stabilized by weak interactions.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-02 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9796 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 50.431, 61.155, 80.601 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.360 - 3.100 |
| R-factor | 0.26262 |
| Rwork | 0.262 |
| R-free | 0.27659 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | theoretic model of B-DNA |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 24.360 | 24.360 | 3.270 |
| High resolution limit [Å] | 3.099 | 9.800 | 3.100 |
| Rmerge | 0.184 | 0.040 | 0.550 |
| Number of reflections | 2433 | ||
| <I/σ(I)> | 9.7952 | ||
| Completeness [%] | 99.6 | 93.65 | 98.99 |
| Redundancy | 10.25 | 8.3 | 9.75 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | Mg, MPD, Sodium Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
