3BIE
X-ray structure of E coli AlkB bound to dsDNA containing 1meA/T with Mn and 2KG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.413, 75.822, 52.228 |
| Unit cell angles | 90.00, 108.53, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.680 |
| R-factor | 0.18783 |
| Rwork | 0.187 |
| R-free | 0.21082 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.099 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.680 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.082 | 0.344 |
| Number of reflections | 34683 | |
| <I/σ(I)> | 17 | 2.87 |
| Completeness [%] | 88.8 | 56.6 |
| Redundancy | 5.5 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 24w/v% PEG 8000, 100mM sodium chloride, 50mM 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 8000 | ||
| 2 | 1 | 1 | NaCl | ||
| 3 | 1 | 1 | MgCl2 | ||
| 4 | 1 | 1 | cacodylate | ||
| 5 | 1 | 2 | PEG 8000 | ||
| 6 | 1 | 2 | NaCl | ||
| 7 | 1 | 2 | MgCl2 | ||
| 8 | 1 | 2 | cacodylate |
