8B37
Crystal structure of Pyrobaculum aerophilum potassium-independent proton pumping membrane integral pyrophosphatase in complex with imidodiphosphate and magnesium, and with bound sulphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 107.190, 88.020, 116.750 |
| Unit cell angles | 90.00, 106.95, 90.00 |
Refinement procedure
| Resolution | 19.970 - 3.840 |
| R-factor | 0.2901 |
| Rwork | 0.289 |
| R-free | 0.31070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lzq |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.491 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.970 | 3.980 |
| High resolution limit [Å] | 3.840 | 3.840 |
| Number of reflections | 13069 | 653 |
| <I/σ(I)> | 3.9 | |
| Completeness [%] | 87.6 | |
| Redundancy | 5 | |
| CC(1/2) | 0.979 | 0.404 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30-33% PEG 400, 0.1 M MES pH 6.5, 0.05 M LiSO4, and 0.05 M NaCl |
