7F08
Crystal Structure of K8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-10-27 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.151, 117.326, 132.878 |
| Unit cell angles | 109.73, 90.19, 91.18 |
Refinement procedure
| Resolution | 45.180 - 3.160 |
| R-factor | 0.184 |
| Rwork | 0.180 |
| R-free | 0.26280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yjy |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.393 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (1.18.1_3865) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.490 | 3.240 |
| High resolution limit [Å] | 3.160 | 3.160 |
| Rmerge | 0.096 | 0.362 |
| Rpim | 0.061 | 0.267 |
| Number of reflections | 80588 | 5728 |
| <I/σ(I)> | 10.9 | 3.3 |
| Completeness [%] | 94.3 | 90.1 |
| Redundancy | 3.4 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Calcium acetate, Polyethylene glycol 3350 |
