4V1H
Crystal structure of a mycobacterial ATP synthase rotor ring in complex with Iodo-Bedaquiline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-10 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | H 3 |
| Unit cell lengths | 74.690, 74.690, 166.330 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.345 - 1.800 |
| R-factor | 0.1928 |
| Rwork | 0.191 |
| R-free | 0.21770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4v1f |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.610 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.150 | 1.130 |
| Number of reflections | 31081 | |
| <I/σ(I)> | 9.25 | 1.97 |
| Completeness [%] | 96.9 | 98 |
| Redundancy | 3.38 | 3.37 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | pH 8 |
