3KHB
Crystal structure of Escherichia coli AlkB with Co(II) and 2-OG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 148.624, 42.806, 86.454 |
| Unit cell angles | 90.00, 121.77, 90.00 |
Refinement procedure
| Resolution | 30.020 - 2.900 |
| R-factor | 0.23413 |
| Rwork | 0.230 |
| R-free | 0.30723 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fd8 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.062 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0063) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.020 | 2.975 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.113 | 0.422 |
| Number of reflections | 9374 | |
| <I/σ(I)> | 6.8 | 6.8 |
| Completeness [%] | 93.6 | 76.74 |
| Redundancy | 4.21 | 4.43 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 288 | 10-20% PEG 8000, 0.1M MES, 0.1M sodium chloride, 0.1M magnesium chloride, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 288K |
