7DNM
Crystal structure of the AgCarB2-C2 complex
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] | 95 |
Detector technology | PIXEL |
Collection date | 2020-06-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.85000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 71.702, 100.575, 136.318 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.180 - 2.300 |
R-factor | 0.1821 |
Rwork | 0.180 |
R-free | 0.22270 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.996 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | CRANK2 |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.180 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.042 | 0.265 |
Number of reflections | 81699 | 10952 |
<I/σ(I)> | 28.15 | 7.68 |
Completeness [%] | 96.6 | |
Redundancy | 6.8 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 25%(w/v) PEG4000, 0.1 M MES pH 6.5, 0.2 M Potassium Iodide |