6DB2
X-ray crystal structure of VioC bound to vanadyl ion, L-homoarginine, and succinate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-08-22 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 81.025, 66.637, 63.224 |
Unit cell angles | 90.00, 109.47, 90.00 |
Refinement procedure
Resolution | 59.610 - 1.700 |
R-factor | 0.1765 |
Rwork | 0.175 |
R-free | 0.19950 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.189 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.610 | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
Rmerge | 0.045 | 0.018 | 0.532 |
Rmeas | 0.053 | 0.021 | 0.626 |
Rpim | 0.027 | 0.011 | 0.326 |
Total number of observations | 130367 | ||
Number of reflections | 34737 | 1793 | 1757 |
<I/σ(I)> | 10.4 | ||
Completeness [%] | 99.8 | 99.2 | 100 |
Redundancy | 3.8 | 3.7 | 3.6 |
CC(1/2) | 0.999 | 0.851 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 8.5 | 293 | 2-oxoglutarate, Tris-HCl |