7HQW
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z431953146
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 | 2023-05-17 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 99.428, 99.392, 129.862 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.760 - 1.481 |
| R-factor | 0.2426 |
| Rwork | 0.242 |
| R-free | 0.26190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (23-JAN-2024)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.980 | 1.510 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.170 | 4.544 |
| Rmeas | 0.177 | 4.814 |
| Rpim | 0.049 | 1.558 |
| Total number of observations | 1346826 | 45826 |
| Number of reflections | 105785 | 4912 |
| <I/σ(I)> | 7.6 | 0.3 |
| Completeness [%] | 99.1 | |
| Redundancy | 12.7 | 9.3 |
| CC(1/2) | 0.996 | 0.416 |
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 |
