8FQ9
Crystal structure of a ligand-bound cation-site mutant D55C of a melibiose transporter
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97741 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 127.225, 127.225, 104.042 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.560 - 3.000 |
| R-factor | 0.2655 |
| Rwork | 0.263 |
| R-free | 0.28830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.557 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_3936) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 3.400 |
| High resolution limit [Å] | 3.000 | 3.180 |
| Rmerge | 0.119 | 1.705 |
| Rmeas | 0.125 | 1.791 |
| Rpim | 0.048 | 0.398 |
| Number of reflections | 19790 | 2982 |
| <I/σ(I)> | 16.8 | 2.2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 13.3 | 20.1 |
| CC(1/2) | 1.000 | 0.728 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 296.15 | MES, 100 mM, PH 6.5 NaCl, 100 mM CaCl, 50 mM PEG400, 32% |
