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 |