5MJK
Crystal Structure of Lactococcus lactis Thioredoxin Reductase (FO conformation)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.610, 132.260, 73.500 |
Unit cell angles | 90.00, 112.62, 90.00 |
Refinement procedure
Resolution | 47.360 - 2.000 |
R-factor | 0.2322 |
Rwork | 0.230 |
R-free | 0.27600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gcm |
RMSD bond length | 0.015 |
RMSD bond angle | 1.699 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.360 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.088 | 0.826 |
Number of reflections | 86685 | |
<I/σ(I)> | 12.18 | 1.82 |
Completeness [%] | 99.0 | 98.4 |
Redundancy | 3.9 | 3.9 |
CC(1/2) | 0.997 | 0.633 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 20% PEG4000, 400 mM Li2SO4. DTT added (20 mM DTT final in drop) |