5LS0
Crystal structure of Inorganic Pyrophosphatase PPA1 from Arabidopsis thaliana
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-28 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91814 |
Spacegroup name | H 3 |
Unit cell lengths | 81.130, 81.130, 174.660 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.407 - 1.830 |
R-factor | 0.1548 |
Rwork | 0.154 |
R-free | 0.19030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lug |
RMSD bond length | 0.011 |
RMSD bond angle | 1.264 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.564 | 40.564 | 1.900 |
High resolution limit [Å] | 1.790 | 5.340 | 1.790 |
Rmerge | 0.054 | 0.019 | 1.087 |
Number of reflections | 40001 | ||
<I/σ(I)> | 21.92 | 77.09 | 1.9 |
Completeness [%] | 99.7 | 99.5 | 99 |
Redundancy | 6.5 | 6.3 | |
CC(1/2) | 1.000 | 1.000 | 0.751 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 292 | 0.07 M bicine, 7% (w/v) PEG 6000, pH 9.0, VAPOR DIFFUSION, HANGING DROP |