5BN3
Structure of a unique ATP synthase NeqA-NeqB in complex with ADP from Nanoarcheaum equitans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2014-02-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9897 |
| Spacegroup name | H 3 |
| Unit cell lengths | 192.459, 192.459, 110.241 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.649 - 2.000 |
| R-factor | 0.1846 |
| Rwork | 0.184 |
| R-free | 0.20960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gqb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.860 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.540 | |
| Number of reflections | 102518 | |
| <I/σ(I)> | 37.12 | 2.87 |
| Completeness [%] | 99.8 | 98.5 |
| Redundancy | 5.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1M MES, 1.6M Ammonium Phosphate |
