3TY8
Crystal Structure of C. Thermocellum PNKP Ligase Domain Apo Form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 130 |
| Detector technology | PIXEL |
| Collection date | 2011-02-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.143, 94.158, 76.025 |
| Unit cell angles | 90.00, 95.78, 90.00 |
Refinement procedure
| Resolution | 37.820 - 2.600 |
| R-factor | 0.1978 |
| Rwork | 0.195 |
| R-free | 0.24150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Entry 3TY5 intermediate state |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.874 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.600 |
| Number of reflections | 25811 |
| <I/σ(I)> | 25.8 |
| Completeness [%] | 99.4 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 0.2-0.25 M di-ammoinium tartrate and 20% (w/v) Polyethylene Glycol 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
