7QTG
Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00630 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 117.923, 108.229, 65.373 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 79.740 - 2.695 |
R-factor | 0.242 |
Rwork | 0.240 |
R-free | 0.28700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gqw |
RMSD bond length | 0.008 |
RMSD bond angle | 0.940 |
Data reduction software | autoPROC (1.0.5) |
Data scaling software | Aimless (0.7.7) |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.740 | 2.840 |
High resolution limit [Å] | 2.695 | 2.700 |
Rmerge | 0.110 | 1.022 |
Number of reflections | 23401 | 3412 |
<I/σ(I)> | 18.4 | |
Completeness [%] | 98.2 | 100 |
Redundancy | 14.2 | 14.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 310 | Anaerobically: 60 % Tacsimate pH 7.0, 10 mM Imidazole, 30 mM NaCl, 1.5 mM Fe(II)SO4, 1.5 mM alpha-ketoglutarate, 1.5 mM ascorbate, 2.5 mM PL-CD6 (substrate) Cryo-protechtion: 10 % (2R,3R)-butane-2,3-diol |