2FDI
Crystal Structure of AlkB in complex with Fe(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T (air 3 hours)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-09-22 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97949 |
Spacegroup name | P 43 |
Unit cell lengths | 40.646, 40.656, 117.924 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.210 - 1.800 |
Rwork | 0.195 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB 2FD8 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | COMO |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.102 | 0.636 |
Number of reflections | 17611 | |
<I/σ(I)> | 20.93 | 2.15 |
Completeness [%] | 99.2 | 97.8 |
Redundancy | 7.9 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 22-24% (w/v) PEG 3350, 10% glycerol and 200 mM sodium formate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | PEG 3350 | ||
2 | 1 | 1 | glycerol | ||
3 | 1 | 1 | sodium formate | ||
4 | 1 | 1 | H2O | ||
5 | 1 | 2 | PEG 3350 | ||
6 | 1 | 2 | sodium formate | ||
7 | 1 | 2 | H2O |