3UOB
Crystal structure of Human Thymine DNA Glycosylase Bound to Substrate Analog 2'-deoxy-2'-beta-fluoro-cytidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 180 |
| Detector technology | CCD |
| Collection date | 2011-10-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 65 |
| Unit cell lengths | 163.418, 163.418, 54.701 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.733 - 3.011 |
| R-factor | 0.2247 |
| Rwork | 0.219 |
| R-free | 0.27610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rba |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.523 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.330 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.280 | 3.000 |
| Rmerge | 0.096 | ||
| Number of reflections | 11703 | ||
| <I/σ(I)> | 13 | 0.53 | |
| Completeness [%] | 59.3 | 75.9 | 59.3 |
| Redundancy | 4.7 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 25% PEG3350, 0.2 M tripotassium citrate monohydrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
