8ZIA
The L-tryptophan specific decarboxylase PsiD(50-439) in complex with tryptamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.277, 59.265, 104.138 |
| Unit cell angles | 90.00, 93.46, 90.00 |
Refinement procedure
| Resolution | 35.510 - 1.600 |
| R-factor | 0.1649 |
| Rwork | 0.164 |
| R-free | 0.18100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8x4q |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.805 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21rc1_5156) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.046 | 0.542 |
| Rmeas | 0.050 | 0.587 |
| Rpim | 0.020 | 0.224 |
| Number of reflections | 124004 | 18007 |
| <I/σ(I)> | 20.4 | 3.5 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.6 | 6.7 |
| CC(1/2) | 0.999 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Magnesium formate dihydrate, 15% w/v Polyethylene glycol 3,350 |
