5CUX
Crystal structure of N-terminal domain truncated Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in complex with PPi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 122.893, 122.893, 127.675 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 2.800 |
Rwork | 0.198 |
R-free | 0.23260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cuv |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.900 |
High resolution limit [Å] | 2.800 | 6.010 | 2.800 |
Rmerge | 0.057 | 0.021 | 0.495 |
Rmeas | 0.061 | 0.023 | 0.532 |
Rpim | 0.023 | 0.009 | 0.193 |
Total number of observations | 204818 | ||
Number of reflections | 27934 | ||
<I/σ(I)> | 18.2 | ||
Completeness [%] | 99.9 | 99.5 | 100 |
Redundancy | 7.3 | 6.7 | 7.5 |
CC(1/2) | 1.000 | 0.912 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | magnesium sulfate heptahydrate, tri-sodium citrate dihydrate |