6M2P
Crystal structure of a NIR-emitting DNA-stabilized Ag16 nanocluster (A10-deletion mutant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-30 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 24.211, 33.713, 58.551 |
Unit cell angles | 90.00, 98.11, 90.00 |
Refinement procedure
Resolution | 29.140 - 1.130 |
R-factor | 0.0859 |
Rwork | 0.085 |
R-free | 0.09600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jr4 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.447 |
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] | 29.142 | 29.142 | 1.150 |
High resolution limit [Å] | 1.125 | 5.030 | 1.130 |
Rmerge | 0.050 | 0.022 | 0.359 |
Rmeas | 0.059 | 0.026 | 0.430 |
Number of reflections | 67312 | 777 | 4855 |
<I/σ(I)> | 16.89 | 46.39 | 3.29 |
Completeness [%] | 96.8 | 99.7 | 92.5 |
Redundancy | 3.406 | 3.779 | 3.239 |
CC(1/2) | 0.999 | 0.999 | 0.904 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | MOPS, MPD, Spermine, calcium nitrate |