5M5J
Thioredoxin reductase from Giardia duodenalis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-30 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 85.643, 85.643, 163.221 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.600 - 2.650 |
| R-factor | 0.20483 |
| Rwork | 0.202 |
| R-free | 0.26001 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d8x |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.236 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.600 | 2.780 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.262 | 1.420 |
| Number of reflections | 18404 | |
| <I/σ(I)> | 12.1 | 2.2 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 16 | 15.3 |
| CC(1/2) | 0.994 | 0.767 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | BIS-TRIS hydrochloride 0.1 M pH 6.5, PEG 5000 MME 20% w/V |
