4AV6
Crystal structure of Thermotoga maritima sodium pumping membrane integral pyrophosphatase at 4 A in complex with phosphate and magnesium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.800, 112.266, 109.714 |
| Unit cell angles | 90.00, 103.00, 90.00 |
Refinement procedure
| Resolution | 29.832 - 4.000 |
| R-factor | 0.2988 |
| Rwork | 0.295 |
| R-free | 0.36500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HIGH RESOLUTION RESTING STATE TMPPASE STRUCTURE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.169 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 4.220 |
| High resolution limit [Å] | 4.000 | 4.000 |
| Rmerge | 0.090 | 0.970 |
| Number of reflections | 17075 | |
| <I/σ(I)> | 8.85 | 1.82 |
| Completeness [%] | 98.2 | 96.8 |
| Redundancy | 4.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 35% PEG 400, 50 MM TRIS PH 8.0, 50 MM LISO4, 50 MM NASO4 |
