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 |