6R8H
Triosephosphate isomerase from liver fluke (Fasciola hepatica).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-01-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.972420 |
Spacegroup name | P 31 |
Unit cell lengths | 87.420, 87.420, 186.600 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.1956 |
Rwork | 0.194 |
R-free | 0.22390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p61 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.910 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.0) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmeas | 0.144 | |
Number of reflections | 107970 | 3604 |
<I/σ(I)> | 5.11 | |
Completeness [%] | 90.3 | |
Redundancy | 5.15 | |
CC(1/2) | 0.729 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | ZnSO4 0.01mM, MES 0.1M pH 6.5, PEG 550mme 25%w:v |