4CCR
Crystal structure of the thioredoxin reductase apoenzyme from Entamoeba histolytica in the absence of the NADP cofactor
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 | 2013-10-29 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.777, 91.029, 90.152 |
| Unit cell angles | 90.00, 105.80, 90.00 |
Refinement procedure
| Resolution | 91.030 - 2.280 |
| R-factor | 0.20598 |
| Rwork | 0.203 |
| R-free | 0.26526 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3itj |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.637 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.030 | 2.400 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.080 | 0.760 |
| Number of reflections | 59359 | |
| <I/σ(I)> | 8.9 | 1.5 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 20% PEG 3350,0.2 M AMMONIUM TARTRATE, PH 7.0; 3 MM AURANOFIN |
