8CJJ
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-057
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 | 2016-01-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.004, 58.042, 59.412 |
| Unit cell angles | 90.00, 97.93, 90.00 |
Refinement procedure
| Resolution | 46.550 - 1.664 |
| R-factor | 0.176635054312 |
| Rwork | 0.175 |
| R-free | 0.20323 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.349 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.550 | 1.724 |
| High resolution limit [Å] | 1.664 | 1.664 |
| Rmerge | 0.076 | 0.807 |
| Number of reflections | 37060 | 3585 |
| <I/σ(I)> | 13.12 | 1.69 |
| Completeness [%] | 99.5 | 97.02 |
| Redundancy | 4.5 | |
| CC(1/2) | 0.998 | 0.692 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 20% PEG 5000 MME, 0.2 M lithium acetate |
