5LZR
Crystal structure of Thermotoga maritima sodium pumping membrane integral pyrophosphatase in complex with tungstate and magnesium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.214 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.720, 108.870, 105.810 |
| Unit cell angles | 90.00, 108.79, 90.00 |
Refinement procedure
| Resolution | 28.462 - 4.000 |
| R-factor | 0.2369 |
| Rwork | 0.232 |
| R-free | 0.27850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4av3 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.194 |
| 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 | |
| High resolution limit [Å] | 4.000 | |
| Rmerge | 0.055 | 0.426 |
| Number of reflections | 29597 | |
| <I/σ(I)> | 14.3 | 3.65 |
| Completeness [%] | 98.8 | 92.8 |
| Redundancy | 3.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 19% PEG 350 monomethylether, 0.1M MES-NaOH pH 6.5, 0.2M CaCl2, 2mM DTT |
