5GPJ
Crystal Structure of Proton-Pumping Pyrophosphatase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2013-03-15 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 225.703, 81.637, 264.845 |
| Unit cell angles | 90.00, 92.87, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.500 |
| R-factor | 0.22979 |
| Rwork | 0.226 |
| R-free | 0.30378 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a01 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.476 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.620 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.168 | 1.175 |
| Number of reflections | 54540 | |
| <I/σ(I)> | 7.5 | 1.11 |
| Completeness [%] | 92.2 | 85.1 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 100mM sodium/potassium phosphate (pH 6.2), 200mM NaCl, and 37%(w/v) PEG600 |
