4CCQ
Crystal structure of the thioredoxin reductase from Entamoeba histolytica with NADP
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 | 2011-11-22 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.764, 92.220, 103.524 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 103.520 - 1.500 |
| R-factor | 0.17339 |
| Rwork | 0.172 |
| R-free | 0.20663 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a5l |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.312 |
| 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] | 103.520 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.050 | 0.430 |
| Number of reflections | 96810 | |
| <I/σ(I)> | 11.4 | 1.7 |
| Completeness [%] | 95.7 | 77.8 |
| Redundancy | 3.8 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.2 M LITHIUM ACETATE, 20% PEG 3350, pH 7 |
