5WRT
Crystal structure of type I inorganic pyrophosphatase from Toxoplasma gondii.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-24 |
Detector | MARRESEARCH |
Wavelength(s) | 0.953 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 88.957, 88.957, 158.665 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.602 - 2.348 |
R-factor | 0.206 |
Rwork | 0.204 |
R-free | 0.23230 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.914 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AutoSol |
Refinement software | PHENIX (1.11.1-2575_1496) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.348 |
Number of reflections | 30191 |
<I/σ(I)> | 104.2 |
Completeness [%] | 95.6 |
Redundancy | 38 |
CC(1/2) | 0.930 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 10% PEG20000, 20 % glycerol, 0.03M glycols, 0.1 M HEPES/MOPS pH7.2 |