6SMZ
Crystal structure of SLA Reductase YihU from E. Coli in complex with NADH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-01 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.512, 113.743, 142.708 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 88.950 - 1.750 |
R-factor | 0.1778 |
Rwork | 0.177 |
R-free | 0.20010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6sm7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.592 |
Data reduction software | xia2 |
Data scaling software | Aimless (5.8.0253) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 88.950 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.057 | 0.473 |
Rmeas | 0.061 | 0.504 |
Rpim | 0.021 | 0.172 |
Total number of observations | 976872 | |
Number of reflections | 119505 | 5864 |
<I/σ(I)> | 18.8 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.2 | 8.3 |
CC(1/2) | 0.998 | 0.954 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | YihU was co-crystallized with 5 mM NADH using 0.2 M Ammonium acetate, 0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3,350 as precipitant. |