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 |