2REZ
Tetracenomycin ARO/CYC NaI Structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-3 |
| Synchrotron site | SSRL |
| Beamline | BL11-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-01-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97354 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 73.788, 73.788, 101.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.900 - 1.950 |
| Rwork | 0.206 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rer |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 21102 | |
| <I/σ(I)> | 25.9 | 5.6 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 8.6 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 277 | 20% PEG 8000, 0.1M SODIUM ACETATE, 0.1 M SODIUM IODIDE, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
