4L9X
Triazine hydrolase from Arthobacter aurescens modified for maximum expression in E.coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-12 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.2398 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.110, 101.270, 77.230 |
| Unit cell angles | 90.00, 100.98, 90.00 |
Refinement procedure
| Resolution | 19.780 - 1.850 |
| R-factor | 0.1886 |
| Rwork | 0.188 |
| R-free | 0.19141 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ls9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.108 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.025 | 0.521 |
| Number of reflections | 72046 | |
| <I/σ(I)> | 14.6 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 30% PEG3350, 200mM ammonium sulfate, 100mM Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
