6TL2
Crystal structure of Eremococcus coleocola manganese transporter in complex with an aromatic bis-isothiourea substituted compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2016-12-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9200 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 150.010, 81.650, 95.590 |
| Unit cell angles | 90.00, 107.43, 90.00 |
Refinement procedure
| Resolution | 12.000 - 3.800 |
| Rwork | 0.216 |
| R-free | 0.25760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m87 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.728 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.900 |
| High resolution limit [Å] | 3.800 | 3.800 |
| Number of reflections | 21203 | 1606 |
| <I/σ(I)> | 15.6 | |
| Completeness [%] | 99.3 | |
| Redundancy | 14.3 | |
| CC(1/2) | 1.000 | 0.817 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 50mM Tris-HCl pH 8.5 24% PEG 400 (v/v) |
