6JR4
Crystal structure of a NIR-emitting DNA-stabilized Ag16 nanocluster
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 2.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 24.241, 33.849, 58.863 |
Unit cell angles | 90.00, 97.81, 90.00 |
Refinement procedure
Resolution | 24.016 - 1.798 |
R-factor | 0.1282 |
Rwork | 0.126 |
R-free | 0.14600 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.122 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.3_1479) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 24.016 | 24.016 | 1.850 |
High resolution limit [Å] | 1.798 | 8.040 | 1.800 |
Rmerge | 0.083 | 0.077 | 0.153 |
Rmeas | 0.100 | 0.094 | 0.185 |
Number of reflections | 16247 | 171 | 1056 |
<I/σ(I)> | 10.85 | 16.81 | 5.45 |
Completeness [%] | 94.3 | 91 | 83.1 |
Redundancy | 3.224 | 3.462 | 2.97 |
CC(1/2) | 0.990 | 0.986 | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | MOPS, PEG3350, Spermine, calcium nitrate |