6ZP3
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 2-Methylindole-3-acetic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-21 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.849, 102.186, 58.572 |
| Unit cell angles | 90.00, 112.94, 90.00 |
Refinement procedure
| Resolution | 39.684 - 1.800 |
| R-factor | 0.1737 |
| Rwork | 0.172 |
| R-free | 0.20550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v6o |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.684 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.051 | 0.467 |
| Number of reflections | 70295 | 4221 |
| <I/σ(I)> | 14.2 | 2.6 |
| Completeness [%] | 98.9 | 99.9 |
| Redundancy | 4.4 | 4.5 |
| CC(1/2) | 0.999 | 0.769 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 294 | PEG 3350 20%, potassium iodide 0.2, BisTris 0.1M, DTT 5mM |
