3UJ1
Crystal structure of the third thioredoxin domain of human ERp46
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 | CCD |
| Collection date | 2010-10-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 63.580, 63.580, 68.680 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.062 - 2.651 |
| R-factor | 0.2303 |
| Rwork | 0.229 |
| R-free | 0.25910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2diz |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.792 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.062 | 31.790 | 2.790 |
| High resolution limit [Å] | 2.651 | 8.380 | 2.650 |
| Rmerge | 0.054 | 0.470 | |
| Total number of observations | 1164 | 5728 | |
| Number of reflections | 4858 | ||
| <I/σ(I)> | 15.6 | 10.1 | 1.6 |
| Completeness [%] | 99.1 | 98 | 99.1 |
| Redundancy | 8.1 | 6.5 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 288 | 0.1 M HEPES, 20 % (w/v) PEG 10.000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K |
