2QIO
X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with Triclosan
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-08-17 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.367, 89.024, 186.049 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.440 |
Rwork | 0.176 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1c14 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.476 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.530 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.098 | 0.223 |
Number of reflections | 44865 | |
<I/σ(I)> | 9.4 | |
Completeness [%] | 97.5 | 96.1 |
Redundancy | 3.5 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 10 mG/mL protein, 20mM TrisHCL, 150mM NaCl, 10% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |