5UTX
Crystal structure of thioredoxin-disulfide reductase from Vibrio vulnificus CMCP6 - apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-30 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.97857 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 120.031, 120.031, 79.185 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.830 - 2.460 |
R-factor | 0.2023 |
Rwork | 0.200 |
R-free | 0.25380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cl0 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.478 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | PHENIX (dev_2614) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
High resolution limit [Å] | 2.450 | 6.650 | 2.450 |
Rmerge | 0.065 | 0.040 | 0.960 |
Rmeas | 0.071 | 0.044 | 1.052 |
Rpim | 0.027 | 0.017 | 0.419 |
Total number of observations | 160021 | ||
Number of reflections | 24257 | ||
<I/σ(I)> | 9.7 | ||
Completeness [%] | 98.7 | 99.2 | 75.7 |
Redundancy | 6.6 | 6.1 | 5.8 |
CC(1/2) | 0.997 | 0.698 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 289 | 20% PEG1000, 100 mM potassium/sodium phosphate, 200 mM sodium chloride |