8X4S
The L-tryptophan specific decarboxylase PsiD covalent bonding with tryptamine
This is a non-PDB format compatible entry.
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 | 2023-07-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.681, 122.502, 128.716 |
| Unit cell angles | 90.00, 99.77, 90.00 |
Refinement procedure
| Resolution | 29.770 - 2.700 |
| R-factor | 0.2001 |
| Rwork | 0.198 |
| R-free | 0.23290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8x4q |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.074 |
| 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] | 30.000 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.190 | 0.761 |
| Rmeas | 0.206 | 0.822 |
| Rpim | 0.079 | 0.308 |
| Number of reflections | 69245 | 10086 |
| <I/σ(I)> | 7.7 | 2.6 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 6.8 | 6.9 |
| CC(1/2) | 0.987 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M Sodium chloride, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3,350 |
