9U8R
Crystal structure of thiamine pyrophosphate (TPP)-dependent alpha-imino acid decarboxylase (AzcB and AzcC) from Streptomyces mobaraensis in complex with TTPP and 6-amino-4-oxo-4,5-dihydro-1,3,5-triazine-2-carboxylic acid.
This is a non-PDB format compatible entry.
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 | 2024-06-30 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.01800 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 274.162, 158.845, 73.869 |
| Unit cell angles | 90.00, 99.20, 90.00 |
Refinement procedure
| Resolution | 48.020 - 2.550 |
| R-factor | 0.192 |
| Rwork | 0.191 |
| R-free | 0.22780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.573 |
| 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] | 48.020 | 2.590 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.121 | 0.597 |
| Number of reflections | 194768 | 4991 |
| <I/σ(I)> | 8.8 | 2.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.9 | 4 |
| CC(1/2) | 0.985 | 0.826 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 293 | 3.7 mg/mL AzcB:AzcC, 2 mM TTPP, 200 mM NaCl, 100 mM CAPS/NaOH (pH 10.5), 20% (w/v) PEG 8,000 |
