8ZVH
Crystal structure of AetD in complex with L-phenylalanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-01 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 41 |
| Unit cell lengths | 65.043, 65.043, 116.211 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.540 - 1.870 |
| R-factor | 0.19476 |
| Rwork | 0.192 |
| R-free | 0.25043 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.498 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.540 | 1.900 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Number of reflections | 39895 | 1866 |
| <I/σ(I)> | 17.8 | |
| Completeness [%] | 99.4 | |
| Redundancy | 6.3 | |
| CC(1/2) | 0.999 | 0.831 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.01 M nickel chloride, 20% PEG 2000 MME, 0.1 M Tris, pH 8.5 |
