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 |