4LUG
Crystal structure of Inorganic Pyrophosphatase PPA1 from Arabidopsis thaliana
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-17 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | H 3 |
| Unit cell lengths | 82.020, 82.020, 175.080 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.010 - 1.930 |
| R-factor | 0.1568 |
| Rwork | 0.155 |
| R-free | 0.19960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1twl |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.396 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.2) |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.010 | 41.000 | 2.050 |
| High resolution limit [Å] | 1.930 | 5.740 | 1.930 |
| Rmerge | 0.043 | 0.017 | 0.598 |
| Rmeas | 0.020 | 0.710 | |
| Number of reflections | 32974 | 1254 | 5274 |
| <I/σ(I)> | 18.76 | 59.02 | 2.04 |
| Completeness [%] | 99.7 | 99.2 | 98.5 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 0.1M succinic acid, 15%(w/v) PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K |
