5LZQ
Crystal structure of Thermotoga maritima sodium pumping membrane integral pyrophosphatase in complex with imidodiphosphate and magnesium, and with bound sodium ion
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 | 2013-06-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 106.421, 106.763, 161.913 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.753 - 3.495 |
| R-factor | 0.2464 |
| Rwork | 0.245 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4av3 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.698 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.700 |
| High resolution limit [Å] | 3.490 | 3.490 |
| Number of reflections | 23904 | |
| <I/σ(I)> | 15.83 | 1.35 |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 8.8 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 32% PEG 400, 0.1M Tris pH 8.5, 0.1M MgCl2, 0.1M NaCl, 2mM DTT |
