5HMF
Crystal structure of triazine hydrolase variant (P214T/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 | 2015-10-29 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9501 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.250, 101.670, 80.430 |
| Unit cell angles | 90.00, 104.02, 90.00 |
Refinement procedure
| Resolution | 45.965 - 1.840 |
| R-factor | 0.1659 |
| Rwork | 0.164 |
| R-free | 0.19460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lh8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.268 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.540 | 1.880 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Number of reflections | 76523 | |
| <I/σ(I)> | 12.8 | 1.6 |
| Completeness [%] | 94.0 | 87.5 |
| Redundancy | 3.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277.15 | 0.1 M BisTris, 0.1 M Ammonium Acetate, 16% PEG3350 |
