11CE
Crystal structure of Zn5 with Zn
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-10-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97905 |
| Spacegroup name | H 3 |
| Unit cell lengths | 108.804, 108.804, 89.074 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 64.730 - 3.410 |
| R-factor | 0.2134 |
| Rwork | 0.212 |
| R-free | 0.24470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.356 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.730 | 3.680 |
| High resolution limit [Å] | 3.410 | 3.410 |
| Rmerge | 0.500 | 1.040 |
| Rpim | 0.170 | 0.370 |
| Number of reflections | 5375 | 1113 |
| <I/σ(I)> | 4.2 | 1.9 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 10.1 | 9.5 |
| CC(1/2) | 0.961 | 0.479 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 21% PEG 350 MME, 0.5 M Magnesium chloride and 0.05 M Tris pH 7.5 |
