3BIE
X-ray structure of E coli AlkB bound to dsDNA containing 1meA/T with Mn and 2KG
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-D |
Synchrotron site | APS |
Beamline | 14-BM-D |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.413, 75.822, 52.228 |
Unit cell angles | 90.00, 108.53, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.680 |
R-factor | 0.18783 |
Rwork | 0.187 |
R-free | 0.21082 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.099 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.680 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmerge | 0.082 | 0.344 |
Number of reflections | 34683 | |
<I/σ(I)> | 17 | 2.87 |
Completeness [%] | 88.8 | 56.6 |
Redundancy | 5.5 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 24w/v% PEG 8000, 100mM sodium chloride, 50mM magnesium chloride, 0.1M cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | PEG 8000 | ||
2 | 1 | 1 | NaCl | ||
3 | 1 | 1 | MgCl2 | ||
4 | 1 | 1 | cacodylate | ||
5 | 1 | 2 | PEG 8000 | ||
6 | 1 | 2 | NaCl | ||
7 | 1 | 2 | MgCl2 | ||
8 | 1 | 2 | cacodylate |