2XPW
TetR(D) in complex with oxytetracycline and magnesium.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-04-06 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 66.893, 66.893, 181.553 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.250 - 1.440 |
| R-factor | 0.17789 |
| Rwork | 0.177 |
| R-free | 0.20473 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2tct |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.777 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.250 | 1.460 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.040 | 0.360 |
| Number of reflections | 34700 | |
| <I/σ(I)> | 30.1 | 2.99 |
| Completeness [%] | 96.6 | 97.1 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.45 M NA-MALONATE, 0.45 M NA-SUCCINATE, 0.1 M NA-CACODYLATE PH 5.55 |
