4LH8
Triazine hydrolase from Arthobacter aurescens modified for maximum expression in E.coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.091, 101.787, 79.890 |
| Unit cell angles | 90.00, 103.24, 90.00 |
Refinement procedure
| Resolution | 48.777 - 1.800 |
| R-factor | 0.1788 |
| Rwork | 0.177 |
| R-free | 0.21810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ls9 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.966 |
| Data reduction software | XDS |
| Data scaling software | Aimless ((CCP4)) |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.780 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.071 | 0.610 |
| Number of reflections | 82036 | |
| <I/σ(I)> | 11 | 2.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 30% PEG3350, 200mM ammonium sulfate, 100mM zinc chloride, 100mM Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
