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 |