3IH7
Crystal structure of catalytically active human 8-oxoguanine glycosylase distally crosslinked to guanine-containing DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 91.000, 91.000, 211.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.190 - 3.100 |
| R-factor | 0.2305 |
| Rwork | 0.228 |
| R-free | 0.26730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nol |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.579 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX (1.4_162) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.160 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Number of reflections | 10527 | |
| <I/σ(I)> | 2.1 | |
| Completeness [%] | 99.7 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 63 mM Magnesium acetate, 12.6% PEG 8000, 90 mM Sodium cacodylate, 10 mM Sodium acetate pH 4.6, 60 mM Sodium fluoride, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Magnesium acetate | ||
| 10 | 1 | 2 | Sodium fluoride | ||
| 2 | 1 | 1 | PEG 8000 | ||
| 3 | 1 | 1 | Sodium cacodylate | ||
| 4 | 1 | 1 | Sodium acetate | ||
| 5 | 1 | 1 | Sodium fluoride | ||
| 6 | 1 | 2 | Magnesium acetate | ||
| 7 | 1 | 2 | PEG 8000 | ||
| 8 | 1 | 2 | Sodium cacodylate | ||
| 9 | 1 | 2 | Sodium acetate |
