2NOE
Structure of catalytically inactive G42A human 8-oxoguanine glycosylase complexed to 8-oxoguanine DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-05-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 91.870, 91.870, 211.799 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.200 |
| Rwork | 0.226 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.227 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.067 | 0.033 | 0.471 |
| Number of reflections | 27479 | ||
| <I/σ(I)> | 11.2 | ||
| Completeness [%] | 98.9 | 98.8 | 98.2 |
| Redundancy | 10.8 | 9.7 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | PEG 8000, Ca(OAc)2, Na cacodylate, pH 6.5, vapor diffusion, hanging drop, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 8000 | ||
| 2 | 1 | 1 | Ca(OAc)2 | ||
| 3 | 1 | 1 | Na cacodylate | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | PEG 8000 | ||
| 6 | 1 | 2 | Ca(OAc)2 | ||
| 7 | 1 | 2 | Na cacodylate | ||
| 8 | 1 | 2 | H2O |
