8CJK
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-098
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 | 2016-05-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.960, 57.875, 59.054 |
| Unit cell angles | 90.00, 97.74, 90.00 |
Refinement procedure
| Resolution | 41.149 - 1.459 |
| R-factor | 0.155720294446 |
| Rwork | 0.155 |
| R-free | 0.18398 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.289 |
| 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] | 41.150 | 1.511 |
| High resolution limit [Å] | 1.459 | 1.459 |
| Rmerge | 0.063 | 0.847 |
| Number of reflections | 54099 | 5279 |
| <I/σ(I)> | 13.36 | 1.58 |
| Completeness [%] | 99.0 | 96.63 |
| Redundancy | 3.7 | |
| CC(1/2) | 0.999 | 0.622 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 27% PEG 3350, 0.2 M NaCl |
