7HS3
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z1216833237
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 | 99.147, 99.052, 128.523 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.970 - 1.829 |
| R-factor | 0.2326 |
| Rwork | 0.231 |
| R-free | 0.25950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.910 |
| 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] | 78.520 | 1.870 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.236 | 4.272 |
| Rmeas | 0.245 | 4.447 |
| Rpim | 0.066 | 1.226 |
| Total number of observations | 768531 | 45733 |
| Number of reflections | 55981 | 3532 |
| <I/σ(I)> | 7.5 | 0.4 |
| Completeness [%] | 99.9 | |
| Redundancy | 13.7 | 12.9 |
| CC(1/2) | 0.998 | 0.322 |
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 |
