3TVQ
Crystal structure of TCM Aro/Cyc complexed with trans-dihidroquercetin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-20 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 72.455, 105.011, 51.088 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.520 - 1.670 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ail |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.520 | 1.730 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Number of reflections | 22482 | |
| Completeness [%] | 97.9 | 100 |
| Redundancy | 6.9 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 20% PEG 8000, 0.1M SODIUM ACETATE, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
