7HTA
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z384361454
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 | 2023-10-10 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 99.057, 99.159, 128.055 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.640 - 1.688 |
| R-factor | 0.2724 |
| Rwork | 0.272 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.950 |
| 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] | 78.380 | 1.720 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.174 | 4.516 |
| Rmeas | 0.181 | 4.685 |
| Rpim | 0.048 | 1.239 |
| Total number of observations | 968592 | 48586 |
| Number of reflections | 69730 | 3445 |
| <I/σ(I)> | 8.3 | 0.3 |
| Completeness [%] | 98.6 | |
| Redundancy | 13.9 | 14.1 |
| CC(1/2) | 0.996 | 0.402 |
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 |
