3UO7
Crystal structure of Human Thymine DNA Glycosylase Bound to Substrate 5-carboxylcytosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 180 |
| Detector technology | CCD |
| Collection date | 2011-10-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 65 |
| Unit cell lengths | 164.352, 164.352, 57.569 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.613 - 3.002 |
| R-factor | 0.232 |
| Rwork | 0.227 |
| R-free | 0.28010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bra |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.428 |
| 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 | 0.080 | ||
| Number of reflections | 14639 | ||
| <I/σ(I)> | 15.3 | 0.73 | |
| Completeness [%] | 99.9 | 100 | 99.9 |
| Redundancy | 3.7 | 3.6 |
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 |
