4A5L
Crystal structure of the thioredoxin reductase from Entamoeba histolytica
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 | 65.819, 91.874, 103.762 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 103.760 - 1.660 |
| R-factor | 0.17197 |
| Rwork | 0.169 |
| R-free | 0.22141 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3itj |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.111 |
| 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] | 103.770 | 1.750 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.040 | 0.380 |
| Number of reflections | 60309 | |
| <I/σ(I)> | 12.7 | 1.6 |
| Completeness [%] | 80.6 | 32.8 |
| Redundancy | 3.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 20% PEG 4000, 0.1 M BICINE, PH 9.0, 0.1 M AMMONIUM SULFATE, 0.01 M MG FORMATE |
