9MC1
Trans-acting enoylreductase PhiaB involved in the phialotideA biosynthesis pathway
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 185.970, 185.970, 58.877 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.530 - 2.900 |
| R-factor | 0.2284 |
| Rwork | 0.226 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.542 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1-4487-000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.530 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmeas | 0.493 | 2.667 |
| Number of reflections | 8689 | 1359 |
| <I/σ(I)> | 9.13 | 1.81 |
| Completeness [%] | 99.8 | 98.9 |
| Redundancy | 17.8 | 17.1 |
| CC(1/2) | 0.990 | 0.652 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293 | 100 mM Tris-HCl pH 7.8, PEG3350 16%(w/v), 0.20 M KSCN |
