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 |