7N29
Structure of NAD kinase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9793 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 97.129, 185.115, 188.634 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.790 - 2.800 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.24900 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | SHELXCD |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.790 | 2.910 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.188 | 0.909 |
Rmeas | 0.195 | 0.942 |
Rpim | 0.052 | 0.245 |
Total number of observations | 591288 | 64868 |
Number of reflections | 42223 | 4427 |
<I/σ(I)> | 13.9 | 3.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 14 | 14.7 |
CC(1/2) | 0.997 | 0.932 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Magnesium Chloride, PEG 3350 |