3BLL
TGT mutant in complex with Boc-preQ1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-16 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97803 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.949, 64.849, 70.471 |
| Unit cell angles | 90.00, 95.56, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.260 |
| Rwork | 0.149 |
| R-free | 0.18210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nso |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.029 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 8.000 |
| High resolution limit [Å] | 1.260 |
| Number of reflections | 97859 |
| <I/σ(I)> | 21 |
| Completeness [%] | 90.4 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 100mM Tris/HCl, 1mM DTT, 5% PEG 8000, 10% DMSO, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
