5BN4
Structure of a unique ATP synthase NeqA-NeqB in complex with ANP from Nanoarcheaum equitans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9798 |
| Spacegroup name | H 3 |
| Unit cell lengths | 193.484, 193.484, 108.850 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.370 - 2.699 |
| R-factor | 0.2177 |
| Rwork | 0.215 |
| R-free | 0.26170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gqb |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.632 |
| 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 | 2.680 |
| High resolution limit [Å] | 2.630 | 2.630 |
| Rmerge | 0.510 | |
| Number of reflections | 39977 | |
| <I/σ(I)> | 5.7 | 2.8 |
| Completeness [%] | 99.8 | 97.3 |
| Redundancy | 5.7 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 280 | 0.1M MES, 1.6M Ammonium Sulphate |
