5BO5
Structure of a unique ATP synthase subunit NeqB 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) | 0.97928 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.229, 155.233, 177.451 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.780 - 2.808 |
| R-factor | 0.2176 |
| Rwork | 0.216 |
| R-free | 0.25680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gqb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.262 |
| 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 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.560 | |
| Number of reflections | 50654 | |
| <I/σ(I)> | 23 | 2 |
| Completeness [%] | 98.3 | 91.8 |
| Redundancy | 13 | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 280 | 100mM HEPES, 200mM mgCl2, 30% PEG 400 |
