3O1O
Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Detector technology | CCD |
| Collection date | 2008-11-09 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.9266 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.380, 75.930, 51.790 |
| Unit cell angles | 90.00, 108.32, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.920 |
| R-factor | 0.17674 |
| Rwork | 0.174 |
| R-free | 0.22223 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bie |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.329 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.401 | 0.401 |
| Number of reflections | 28228 | |
| <I/σ(I)> | 2.3 | |
| Completeness [%] | 94.5 | 71.5 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 20% (w/v) PEG 8K, 100 mM Sodium Chloride, 25 mM magnesium chloride, 0.1M cacodylate, pH 6.5,, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
