3I3Q
Crystal Structure of AlkB in complex with Mn(II) and 2-oxoglutarate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Detector technology | CCD |
| Collection date | 2006-11-15 |
| Wavelength(s) | 0.97947 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.746, 39.187, 72.407 |
| Unit cell angles | 77.18, 74.80, 63.62 |
Refinement procedure
| Resolution | 32.970 - 1.400 |
| R-factor | 0.182 |
| Rwork | 0.182 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | COMO (1.2) |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 3.800 | 1.400 |
| Rmerge | 0.047 | 0.026 | 0.590 |
| Number of reflections | 71196 | ||
| <I/σ(I)> | 11.8 | ||
| Completeness [%] | 96.1 | 98.6 | 93.6 |
| Redundancy | 4 | 3.8 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG 3350, sodium formate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
