3GKE
Crystal Structure of Dicamba Monooxygenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9 |
Spacegroup name | P 32 |
Unit cell lengths | 81.026, 81.026, 158.154 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.150 - 1.750 |
R-factor | 0.16484 |
Rwork | 0.163 |
R-free | 0.19789 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.224 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXDE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.000 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.066 | 0.665 |
Number of reflections | 116444 | |
<I/σ(I)> | 31.5 | 2.2 |
Completeness [%] | 99.3 | 100 |
Redundancy | 7.9 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 5% PEG 4000, 100 mM sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |