5W6X
Crystal structure of the HsNUDT16 in complex with Mg+2 and ADP-ribose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E DW |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-01 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 113.755, 46.319, 74.238 |
Unit cell angles | 90.00, 107.65, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.1834 |
Rwork | 0.181 |
R-free | 0.23770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid XX |
RMSD bond length | 0.015 |
RMSD bond angle | 1.867 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.076 | 0.054 | 0.214 |
Total number of observations | 64178 | ||
Number of reflections | 20264 | ||
<I/σ(I)> | 14.4 | ||
Completeness [%] | 92.5 | 97.5 | 59.1 |
Redundancy | 3.2 | 3.4 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 9.5 | 293 | PEG 8000, CHES |