7HSK
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z1916655441
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-12 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 99.499, 99.481, 129.259 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.850 - 1.790 |
| R-factor | 0.26661 |
| Rwork | 0.264 |
| R-free | 0.30955 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.602 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.880 | 1.830 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.241 | 3.883 |
| Rmeas | 0.251 | 4.035 |
| Rpim | 0.069 | 1.086 |
| Total number of observations | 809907 | 48163 |
| Number of reflections | 60579 | 3538 |
| <I/σ(I)> | 8.1 | 0.5 |
| Completeness [%] | 99.9 | |
| Redundancy | 13.4 | 13.6 |
| CC(1/2) | 0.994 | 0.349 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.85 | 293 | 0.1M MES pH 6.85, 1.6M Ammonium sulfate |
