2NOF
Structure of Q315F human 8-oxoguanine glycosylase proximal crosslink 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 | 92.267, 92.267, 211.128 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.350 |
| Rwork | 0.227 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.225 |
| 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 | 2.430 |
| High resolution limit [Å] | 2.350 | 5.060 | 2.350 |
| Rmerge | 0.059 | 0.026 | 0.495 |
| Number of reflections | 22969 | ||
| <I/σ(I)> | 15.8 | ||
| Completeness [%] | 99.8 | 98 | 100 |
| Redundancy | 12 | 11.1 | 12.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | PEG 8000, CaCl2, Na cacodylate, pH 6.0, 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 |
