7HSQ
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z240654968
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 | 2023-10-09 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 98.843, 98.840, 128.594 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.370 - 1.850 |
| R-factor | 0.24855 |
| Rwork | 0.246 |
| R-free | 0.29915 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.486 |
| 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] | 78.380 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.213 | 4.560 |
| Rmeas | 0.221 | 4.750 |
| Rpim | 0.060 | 1.318 |
| Total number of observations | 740765 | 42799 |
| Number of reflections | 54037 | 3326 |
| <I/σ(I)> | 7 | 0.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.7 | 12.9 |
| CC(1/2) | 0.997 | 0.259 |
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 |
