8JZ2
Crystal structure of AetF in complex with FAD
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 | 2023-05-19 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.9998 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.475, 74.963, 143.099 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.470 - 1.850 |
R-factor | 0.18024 |
Rwork | 0.178 |
R-free | 0.22925 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.532 |
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 | 1.920 |
High resolution limit [Å] | 1.850 | 3.980 | 1.850 |
Rmerge | 0.045 | 0.027 | 0.435 |
Rmeas | 0.051 | 0.031 | 0.484 |
Rpim | 0.023 | 0.014 | 0.208 |
Number of reflections | 54003 | 5876 | 4935 |
<I/σ(I)> | 14.3 | ||
Completeness [%] | 96.1 | 99.2 | 89.6 |
Redundancy | 4.5 | 4.6 | 4.5 |
CC(1/2) | 1.000 | 0.999 | 0.894 |
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) |