4V1F
Crystal structure of a mycobacterial ATP synthase rotor ring in complex with 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 | 2014-06-17 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | H 3 |
| Unit cell lengths | 75.048, 75.048, 166.550 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.524 - 1.697 |
| R-factor | 0.1566 |
| Rwork | 0.156 |
| R-free | 0.16190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | POLYALANINE MODEL OF 3U2Y |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.092 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.710 |
| Rmerge | 0.080 | 0.510 |
| Number of reflections | 38645 | |
| <I/σ(I)> | 18.5 | 4.9 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 10.2 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | pH 8 |
