5MIP
Crystal Structure of Lactococcus lactis Thioredoxin Reductase Exposed to Visible Light (30 min)
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 | 2015-02-10 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97898 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 121.430, 121.430, 60.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.930 - 2.000 |
R-factor | 0.1921 |
Rwork | 0.190 |
R-free | 0.24030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f6m |
RMSD bond length | 0.019 |
RMSD bond angle | 2.177 |
Data reduction software | XDS (November 3, 2014) |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (6.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.940 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.116 | 1.224 |
Number of reflections | 30054 | |
<I/σ(I)> | 13.24 | 1.74 |
Completeness [%] | 96.2 | 98.1 |
Redundancy | 6.6 | 6.5 |
CC(1/2) | 0.998 | 0.619 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 35% PEG 1500, 400 mM Li2SO4, 20 mM HEPES |