8JZ5
Crystal structure of AetF in complex with FAD and NADP+ at 1.86 angstrom
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 | 2023-06-30 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.9998 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.425, 75.447, 143.845 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.790 - 1.860 |
R-factor | 0.18376 |
Rwork | 0.181 |
R-free | 0.23850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.541 |
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 | 1.930 |
High resolution limit [Å] | 1.860 | 4.000 | 1.860 |
Rmerge | 0.061 | 0.043 | 0.397 |
Rmeas | 0.068 | 0.049 | 0.450 |
Rpim | 0.031 | 0.023 | 0.206 |
Total number of observations | 254350 | ||
Number of reflections | 55009 | 5634 | 5453 |
<I/σ(I)> | 11.3 | ||
Completeness [%] | 99.1 | 96.2 | 99.6 |
Redundancy | 4.6 | 4.1 | 4.3 |
CC(1/2) | 0.999 | 0.997 | 0.911 |
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 DTT) |