9U8Q
Crystal structure of thiamine pyrophosphate (TPP)-dependent alpha-imino acid decarboxylase (AzcB and AzcC) from Streptomyces mobaraensis in complex with TPP.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-05-30 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.01800 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 129.350, 97.306, 129.725 |
| Unit cell angles | 90.00, 119.63, 90.00 |
Refinement procedure
| Resolution | 48.780 - 2.200 |
| R-factor | 0.1655 |
| Rwork | 0.165 |
| R-free | 0.20160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.850 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.780 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.071 | 0.574 |
| Number of reflections | 272167 | 6970 |
| <I/σ(I)> | 12.8 | 2.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.9 | 4 |
| CC(1/2) | 0.997 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 293 | 3.7 mg/mL AzcB:AzcC, 2 mM TPP, 100 mM CHES/HCl (pH 9.5), 20% (w/v) PEG 8,000 |
