8X4Q
Apo structure of L-tryptophan specific decarboxylase PsiD
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 | 82.285, 120.763, 128.456 |
| Unit cell angles | 90.00, 99.43, 90.00 |
Refinement procedure
| Resolution | 29.370 - 2.550 |
| R-factor | 0.1747 |
| Rwork | 0.172 |
| R-free | 0.22240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.894 |
| 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 | 2.690 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.168 | 0.808 |
| Rmeas | 0.182 | 0.878 |
| Rpim | 0.070 | 0.340 |
| Number of reflections | 80722 | 11754 |
| <I/σ(I)> | 9.1 | 2.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.6 | 6.6 |
| CC(1/2) | 0.992 | 0.755 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Ammonium acetate, 0.1 M Sodium citrate pH 5.6, 30% w/v Polyethylene glycol 4,000 |
