5UHZ
Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, D-Apionate and Magnesium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97931 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 138.763, 114.183, 66.158 |
Unit cell angles | 90.00, 94.99, 90.00 |
Refinement procedure
Resolution | 29.570 - 2.200 |
R-factor | 0.20126 |
Rwork | 0.200 |
R-free | 0.22590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uhw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.230 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.21) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.570 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.042 | 0.659 |
Rmeas | 0.058 | 0.891 |
Rpim | 0.039 | 0.596 |
Number of reflections | 51035 | 7372 |
<I/σ(I)> | 6.6 | 1.4 |
Completeness [%] | 98.2 | 98 |
Redundancy | 3.8 | 3.9 |
CC(1/2) | 0.999 | 0.795 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 3.5 M Sodium formate, 5 mM NAD+, 5 mM magnesium chloride |