7PUT
Crystal structure of Thioredoxin Reductase from Brugia Malayi in complex with NADP(H)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.999900 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 147.390, 260.287, 130.333 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.130 - 2.800 |
R-factor | 0.1975 |
Rwork | 0.196 |
R-free | 0.22860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3QFA_A 4tr1 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.621 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.130 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.046 | 0.564 |
Number of reflections | 61904 | 4537 |
<I/σ(I)> | 22.2 | 3.1 |
Completeness [%] | 99.9 | |
Redundancy | 7.2 | 7.6 |
CC(1/2) | 0.999 | 0.874 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 294.15 | 0.1M Tris/HCl pH 8, 5mM DTT, 20% MPD |