7HT8
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z363071686
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 | 99.018, 99.088, 128.882 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.000 - 1.720 |
R-factor | 0.2682 |
Rwork | 0.268 |
R-free | 0.28260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.010 |
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] | 78.540 | 1.750 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.184 | 4.382 |
Rmeas | 0.192 | 4.547 |
Rpim | 0.052 | 1.207 |
Total number of observations | 919444 | 49222 |
Number of reflections | 67373 | 3525 |
<I/σ(I)> | 10.2 | 0.7 |
Completeness [%] | 100.0 | |
Redundancy | 13.6 | 14 |
CC(1/2) | 0.997 | 0.356 |
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 |