7BSH
Crystal structure of a NIR-emitting DNA-stabilized Ag16 nanocluster (Abasic mutant)
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 | 2020-02-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 28.223, 35.960, 43.482 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.710 - 1.200 |
R-factor | 0.0783 |
Rwork | 0.077 |
R-free | 0.08840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jr4 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.710 | 27.710 | 1.230 |
High resolution limit [Å] | 1.200 | 5.360 | 1.200 |
Rmerge | 0.060 | 0.034 | 0.292 |
Rmeas | 0.065 | 0.038 | 0.318 |
Total number of observations | 181315 | ||
Number of reflections | 26773 | 299 | 1968 |
<I/σ(I)> | 18.84 | 47.66 | 6.19 |
Completeness [%] | 99.9 | 98.7 | 99.2 |
Redundancy | 6.772 | 7.007 | 6.476 |
CC(1/2) | 0.999 | 0.999 | 0.972 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | MOPS, Spermine, calcium nitrate, MPD |