3RNC
Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase T201S/I100A Double Mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-08-30 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 182.571, 182.571, 67.047 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.643 - 2.740 |
R-factor | 0.20861 |
Rwork | 0.206 |
R-free | 0.26491 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2inc |
RMSD bond length | 0.016 |
RMSD bond angle | 1.745 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.643 | 2.820 |
High resolution limit [Å] | 2.740 | 2.750 |
Number of reflections | 31536 | |
<I/σ(I)> | 21.8 | 4 |
Completeness [%] | 93.7 | 95.3 |
Redundancy | 7 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 100 mM HEPES, 2.1 mM ammonium sulfate, 2% PEG400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |