9U8S
Crystal structure of thiamine pyrophosphate (TPP)-dependent alpha-imino acid decarboxylase (AzcB and AzcC) from Streptomyces mobaraensis in complex with TPP and 5-azacytosine.
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 | 2025-03-10 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.00500 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 119.465, 96.918, 130.285 |
| Unit cell angles | 90.00, 113.39, 90.00 |
Refinement procedure
| Resolution | 48.460 - 2.460 |
| R-factor | 0.1909 |
| Rwork | 0.190 |
| R-free | 0.23280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.553 |
| 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] | 48.460 | 2.500 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Rmerge | 0.154 | 0.778 |
| Number of reflections | 192138 | 4891 |
| <I/σ(I)> | 9.3 | 2.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.2 | 5.3 |
| CC(1/2) | 0.988 | 0.604 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 3.7 mg/mL AzcB:AzcC, 2 mM TPP, 200 mM Li2SO4, 100 mM Tris/HCl (pH 7.0), 1000 mM potassium sodium tartrate |
