3KHC
Crystal Structure of Escherichia coli AlkB in complex with ssDNA containing a 1-methylguanine lesion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-12 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 147.809, 41.441, 85.622 |
| Unit cell angles | 90.00, 120.98, 90.00 |
Refinement procedure
| Resolution | 23.740 - 2.200 |
| R-factor | 0.21434 |
| Rwork | 0.211 |
| R-free | 0.27326 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fd8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.619 |
| 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] | 42.690 | 2.230 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.104 | 0.396 |
| Number of reflections | 21726 | |
| <I/σ(I)> | 9.4 | 9.4 |
| Completeness [%] | 99.6 | 99.94 |
| Redundancy | 6.94 | 6.27 |
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 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 8000 | ||
| 2 | 1 | 1 | MES | ||
| 3 | 1 | 1 | sodium chloride | ||
| 4 | 1 | 1 | magnesium chloride | ||
| 5 | 1 | 2 | PEG 8000 | ||
| 6 | 1 | 2 | MES | ||
| 7 | 1 | 2 | sodium chloride | ||
| 8 | 1 | 2 | magnesium chloride |
