4JGC
Human TDG N140A mutant IN A COMPLEX WITH 5-carboxylcytosine (5caC)
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 | 2011-11-30 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.486, 53.555, 81.902 |
| Unit cell angles | 90.00, 95.10, 90.00 |
Refinement procedure
| Resolution | 45.560 - 2.582 |
| R-factor | 0.2324 |
| Rwork | 0.230 |
| R-free | 0.28330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fnc |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.196 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.560 | 2.680 |
| High resolution limit [Å] | 2.582 | 2.582 |
| Rmerge | 0.077 | 0.365 |
| Number of reflections | 11604 | |
| <I/σ(I)> | 15.7 | 2 |
| Completeness [%] | 92.9 | 73.4 |
| Redundancy | 4 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 289 | 30% polyethylene glycol (PEG) 4000, 0.2 M ammonium acetate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, temperature 289K |
