4A65
Crystal structure of the thioredoxin reductase from Entamoeba histolytica with AuCN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2011-10-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.504, 91.387, 101.269 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 101.270 - 1.700 |
| R-factor | 0.1707 |
| Rwork | 0.167 |
| R-free | 0.23005 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a5l |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.971 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 101.270 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.050 | 0.440 |
| Number of reflections | 51502 | |
| <I/σ(I)> | 13.2 | 2 |
| Completeness [%] | 76.6 | 28.8 |
| Redundancy | 4.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 22% PEG 4000, 0.1 M BICINE PH 9.0, 0.1 M AMMONIUM SULFATE, 1 MM AUCN |
