3UFJ
Human Thymine DNA Glycosylase Bound to Substrate Analog 2'-fluoro-2'-deoxyuridine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 65 |
| Unit cell lengths | 162.537, 162.537, 54.959 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.634 - 2.967 |
| R-factor | 0.26504 |
| Rwork | 0.263 |
| R-free | 0.30435 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rba |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.106 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 140.761 | 3.040 |
| High resolution limit [Å] | 2.967 | 2.967 |
| Number of reflections | 17456 | |
| <I/σ(I)> | 14.3 | 1.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 11 | 11.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 295 | 20% PEG3350, 0.2 M potassium sodium tartrate tetrahydrate, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
