5HME
Crystal structure of Triazine Hydrolase variant (P214T/Y215H)
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 | 2015-09-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.551, 100.718, 78.851 |
| Unit cell angles | 90.00, 102.30, 90.00 |
Refinement procedure
| Resolution | 35.979 - 2.151 |
| R-factor | 0.2045 |
| Rwork | 0.203 |
| R-free | 0.22660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lh8 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.486 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.980 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 46881 | |
| <I/σ(I)> | 7.3 | 2.3 |
| Completeness [%] | 99.7 | 98.5 |
| Redundancy | 6.4 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277.15 | 0.1 M Bis Tris, 0.1M Ammonium Acetate, 16% PEG3350 |
