5UHW
Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+ 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 | 2016-07-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97931 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 138.674, 112.856, 65.741 |
Unit cell angles | 90.00, 95.02, 90.00 |
Refinement procedure
Resolution | 19.980 - 2.240 |
R-factor | 0.18942 |
Rwork | 0.188 |
R-free | 0.21601 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ezy |
RMSD bond length | 0.012 |
RMSD bond angle | 1.491 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP (11.3.02) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.980 | 2.360 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.095 | 0.767 |
Rmeas | 0.131 | 1.025 |
Rpim | 0.090 | 0.675 |
Number of reflections | 48152 | 6729 |
<I/σ(I)> | 6.5 | 1.2 |
Completeness [%] | 99.1 | 95.6 |
Redundancy | 3.7 | 2.9 |
CC(1/2) | 0.989 | 0.374 |
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 |