4FNC
Human TDG in a post-reactive complex with 5-hydroxymethyluracil (5hmU)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-24 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.960, 53.720, 81.560 |
| Unit cell angles | 90.00, 96.49, 90.00 |
Refinement procedure
| Resolution | 39.161 - 2.493 |
| R-factor | 0.2259 |
| Rwork | 0.224 |
| R-free | 0.26650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rba |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.863 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.161 | 2.580 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.081 | 0.630 |
| Number of reflections | 13702 | |
| <I/σ(I)> | 25.3 | 2.9 |
| Completeness [%] | 99.1 | 93.6 |
| Redundancy | 10.2 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 30% polyethylene glycol (PEG) 4000, 0.2 M ammonium acetate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
