4AV3
Crystal structure of Thermotoga Maritima sodium pumping membrane integral pyrophosphatase with metal ions in active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.520, 107.779, 102.521 |
| Unit cell angles | 90.00, 108.50, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.600 |
| R-factor | 0.20658 |
| Rwork | 0.205 |
| R-free | 0.24478 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | OUR BACKBONE HELICAL LOW RESOLUTION MODEL |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.703 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXCD |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.760 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.050 | 0.840 |
| Number of reflections | 49279 | |
| <I/σ(I)> | 22.7 | 2.14 |
| Completeness [%] | 97.8 | 95.1 |
| Redundancy | 7.43 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 19-22% PEG 350, 0.1 M MES-NAOH PH 6.5, 0.2 M CA2CL, 2 MM DTT |
