6JTT
MHETase in complex with BHET
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-03-12 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 215.259, 173.799, 106.671 |
| Unit cell angles | 90.00, 119.51, 90.00 |
Refinement procedure
| Resolution | 33.210 - 2.510 |
| R-factor | 0.1917 |
| Rwork | 0.190 |
| R-free | 0.22640 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.772 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.210 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.086 | 0.308 |
| Number of reflections | 114235 | 5710 |
| <I/σ(I)> | 15.75 | |
| Completeness [%] | 98.2 | 98 |
| Redundancy | 2.1 | 2.2 |
| CC(1/2) | 0.982 | 0.867 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG3350, HEPES, Tacsimate pH 7.0 |
