8CJL
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor TPT-004
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.090, 58.090, 65.290 |
Unit cell angles | 90.00, 103.57, 90.00 |
Refinement procedure
Resolution | 45.780 - 1.830 |
R-factor | 0.1966 |
Rwork | 0.195 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.046 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.780 | 1.895 |
High resolution limit [Å] | 1.830 | 1.830 |
Number of reflections | 30237 | 2967 |
<I/σ(I)> | 6.84 | 0.68 |
Completeness [%] | 99.5 | |
Redundancy | 4 | |
CC(1/2) | 0.994 | 0.394 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 18% PEG6000, 0.1 M Tris pH 8.5 |