3BI3
X-ray structure of AlkB protein bound to dsDNA containing 1meA/A with cofactors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-26 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.407, 75.629, 50.972 |
| Unit cell angles | 90.00, 107.73, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.21634 |
| Rwork | 0.215 |
| R-free | 0.24714 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.093 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.093 | 0.250 |
| Number of reflections | 24645 | |
| <I/σ(I)> | 10 | 3.6 |
| Completeness [%] | 89.7 | 69.8 |
| Redundancy | 3.2 | 3.1 |
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 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 8K | ||
| 2 | 1 | 1 | Sodium Chloride | ||
| 3 | 1 | 1 | magnesium chloride | ||
| 4 | 1 | 1 | cacodylate | ||
| 5 | 1 | 2 | PEG 8K | ||
| 6 | 1 | 2 | Sodium Chloride | ||
| 7 | 1 | 2 | magnesium chloride | ||
| 8 | 1 | 2 | cacodylate |
