7QTD
Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with iron and alpha-ketoglutarate
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 | 2009-12-10 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.124, 108.215, 116.408 |
Unit cell angles | 90.00, 94.75, 90.00 |
Refinement procedure
Resolution | 63.900 - 1.750 |
R-factor | 0.1417 |
Rwork | 0.141 |
R-free | 0.16460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gqw |
Data reduction software | autoPROC (1.0.5) |
Data scaling software | Aimless (0.5.17) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20-4459) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 108.210 | 108.210 | 1.840 |
High resolution limit [Å] | 1.750 | 5.520 | 1.750 |
Rmerge | 0.067 | 0.027 | 0.557 |
Rmeas | 0.078 | 0.032 | 0.651 |
Rpim | 0.040 | 0.017 | 0.335 |
Total number of observations | 606869 | 19228 | 87796 |
Number of reflections | 160147 | 5188 | 23289 |
<I/σ(I)> | 13.5 | 36.9 | 2.4 |
Completeness [%] | 99.9 | 99.7 | 100 |
Redundancy | 3.8 | 3.7 | 3.8 |
CC(1/2) | 0.998 | 0.999 | 0.797 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 310 | 34% Tacsimate pH 7.0 |