3LSC
Crystal structure of the mutant E241Q of atrazine chlorohydrolase TrzN from Arthrobacter aurescens TC1 complexed with zinc and atraton
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.378, 101.621, 80.767 |
| Unit cell angles | 90.00, 104.45, 90.00 |
Refinement procedure
| Resolution | 39.106 - 1.640 |
| R-factor | 0.1906 |
| Rwork | 0.189 |
| R-free | 0.21430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ls9 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.029 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | BALBES |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.000 |
| High resolution limit [Å] | 1.640 |
| Rmerge | 0.071 |
| Number of reflections | 108286 |
| Completeness [%] | 98.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 30% PEG4000, 0.1M sodium citrate, 0.2M ammonium acetate , pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
