5HMD
Crystal structure of triazine hydrolase variant (Y215H/E241Q)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-02 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.154, 99.415, 77.183 |
| Unit cell angles | 90.00, 101.12, 90.00 |
Refinement procedure
| Resolution | 19.685 - 2.100 |
| R-factor | 0.1482 |
| Rwork | 0.145 |
| R-free | 0.20290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lh8 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.463 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.690 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.131 | 0.557 |
| Number of reflections | 47950 | |
| <I/σ(I)> | 11.1 | 2.7 |
| Completeness [%] | 98.6 | 93.3 |
| Redundancy | 5.3 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277.15 | 0.1M Bis Tris, 0.1M Ammonium acetate, 16% PEG 3350 |
