2NOH
Structure of catalytically inactive Q315A 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 | 2004-06-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 92.169, 92.169, 211.382 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.010 |
| Rwork | 0.213 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.180 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.080 |
| High resolution limit [Å] | 2.010 | 4.330 | 2.010 |
| Rmerge | 0.079 | 0.034 | 0.478 |
| Number of reflections | 36254 | ||
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 99.9 | 98.9 | 100 |
| Redundancy | 11.4 | 10.6 | 11.6 |
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 |
