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 |
