3U05
Crystal structure of DB1804-D(CGCGAATTCGCG)2 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-08-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.100, 39.880, 65.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.100 - 1.270 |
| R-factor | 0.20228 |
| Rwork | 0.201 |
| R-free | 0.23661 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.178 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.980 | 1.220 | 1.050 |
| High resolution limit [Å] | 1.020 | 1.180 | 1.020 |
| Rmerge | 0.063 | ||
| Number of reflections | 52182 | ||
| Completeness [%] | 84.0 | 99.7 | 11.3 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 283 | MAGNESIUM CHLORIDE, DNA, COMPOUND DB1804, MPD, SODIUM CACODYLATE BUFFER, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 283K |
