7HTQ
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z55993012
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 | 99.052, 99.049, 128.508 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.350 - 1.600 |
| R-factor | 0.2194 |
| Rwork | 0.218 |
| R-free | 0.24380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.980 |
| 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] | 78.450 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.213 | 5.493 |
| Rmeas | 0.221 | 5.767 |
| Rpim | 0.060 | 1.736 |
| Total number of observations | 1118053 | 45241 |
| Number of reflections | 83252 | 4079 |
| <I/σ(I)> | 9.7 | 0.5 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.4 | 11.1 |
| CC(1/2) | 0.998 | 0.331 |
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 |
