7XLV
Crystal structure of a NIR-emitting DNA-stabilized Ag16 nanocluster (G7I 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 | 2022-02-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 24.212, 41.474, 45.301 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.590 - 1.100 |
R-factor | 0.103 |
Rwork | 0.102 |
R-free | 0.10980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jr4 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.590 | 30.590 | 1.130 |
High resolution limit [Å] | 1.100 | 4.910 | 1.100 |
Rmerge | 0.084 | 0.051 | 0.397 |
Rmeas | 0.100 | 0.061 | 0.477 |
Total number of observations | 120254 | ||
Number of reflections | 35080 | 393 | 2509 |
<I/σ(I)> | 9.85 | 20.31 | 3 |
Completeness [%] | 97.5 | 98.5 | 94.9 |
Redundancy | 3.428 | 3.641 | 3.103 |
CC(1/2) | 0.995 | 0.995 | 0.828 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | MPD, spermine, lithium chloride, MOPS |