5MIQ
Crystal Structure of Lactococcus lactis Thioredoxin Reductase Exposed to Visible Light (60 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 | 121.460, 121.460, 60.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.940 - 1.920 |
R-factor | 0.1964 |
Rwork | 0.195 |
R-free | 0.22760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f6m |
RMSD bond length | 0.019 |
RMSD bond angle | 2.033 |
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] | 42.950 | 1.970 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.096 | 1.461 |
Number of reflections | 35159 | |
<I/σ(I)> | 15.69 | 1.18 |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 7.4 | 6.3 |
CC(1/2) | 0.999 | 0.495 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 35% PEG 1500, 400 mM Li2SO4, 20 mM HEPES |