4OO4
Crystal Structure of Human Thioredoxin Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-01-07 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.269, 50.182, 51.066 |
| Unit cell angles | 90.00, 94.08, 90.00 |
Refinement procedure
| Resolution | 35.750 - 0.970 |
| R-factor | 0.13726 |
| Rwork | 0.136 |
| R-free | 0.16498 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ert |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.990 |
| Data reduction software | HKL-2000 |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.940 | 1.020 |
| High resolution limit [Å] | 0.970 | 0.970 |
| Rmerge | 0.042 | 0.316 |
| Number of reflections | 88291 | |
| <I/σ(I)> | 18.8 | 2.6 |
| Completeness [%] | 84.2 | 44.5 |
| Redundancy | 3.4 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 289 | 20% PEG 3350, 0.1 M sodium acetate, 2 mM DTT, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
