2FDI
Crystal Structure of AlkB in complex with Fe(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T (air 3 hours)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 43 |
| Unit cell lengths | 40.646, 40.656, 117.924 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.210 - 1.800 |
| Rwork | 0.195 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 2FD8 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | COMO |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.102 | 0.636 |
| Number of reflections | 17611 | |
| <I/σ(I)> | 20.93 | 2.15 |
| Completeness [%] | 99.2 | 97.8 |
| Redundancy | 7.9 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 22-24% (w/v) PEG 3350, 10% glycerol and 200 mM sodium formate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 3350 | ||
| 2 | 1 | 1 | glycerol | ||
| 3 | 1 | 1 | sodium formate | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | PEG 3350 | ||
| 6 | 1 | 2 | sodium formate | ||
| 7 | 1 | 2 | H2O |
