6ZLB
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with Indole-3-carbinol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-27 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 147.754, 101.830, 60.415 |
| Unit cell angles | 90.00, 113.09, 90.00 |
Refinement procedure
| Resolution | 37.000 - 1.900 |
| R-factor | 0.1698 |
| Rwork | 0.168 |
| R-free | 0.19970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v6o |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.863 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.054 | 0.496 |
| Number of reflections | 64412 | 4009 |
| <I/σ(I)> | 14 | 2.3 |
| Completeness [%] | 99.1 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.998 | 0.775 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | PEG 3350 20%, potassium iodide 0.2M, bistris 0.1M |
