8JZ4
Crystal structure of AetF in complex with FAD and 5-bromo-L-tryptophan
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-04-16 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.9998 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.608, 75.937, 144.239 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.510 - 2.080 |
R-factor | 0.19346 |
Rwork | 0.190 |
R-free | 0.26087 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.499 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.150 |
High resolution limit [Å] | 2.080 | 4.470 | 2.080 |
Rmerge | 0.057 | 0.033 | 0.533 |
Rmeas | 0.066 | 0.038 | 0.615 |
Rpim | 0.033 | 0.019 | 0.301 |
Total number of observations | 149739 | ||
Number of reflections | 39188 | 4166 | 3744 |
<I/σ(I)> | 11 | ||
Completeness [%] | 97.5 | 97.6 | 94.8 |
Redundancy | 3.8 | 3.7 | 3.8 |
CC(1/2) | 0.998 | 0.998 | 0.859 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% PEG 6000, 0.1 M Tris pH 8.0, 8 mg/mL AetF (5 mM 5-Br-Trp, 5 mM DTT) |