2XPU
TetR(D) in complex with anhydrotetracycline.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 66.233, 66.233, 179.872 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.120 - 1.550 |
| R-factor | 0.23458 |
| Rwork | 0.233 |
| R-free | 0.27185 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2tct |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.609 |
| 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] | 33.120 | 1.630 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.090 | 0.390 |
| Number of reflections | 28088 | |
| <I/σ(I)> | 12.6 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.2 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 50 MM MES PH 6.5, 1.1 M (NH4)2SO4, 100 MM NACL, 1 MM EDTA |
