7ZIJ
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-080
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 | 2015-01-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.050, 57.650, 69.481 |
| Unit cell angles | 90.00, 109.71, 90.00 |
Refinement procedure
| Resolution | 44.292 - 1.947 |
| R-factor | 0.188234943903 |
| Rwork | 0.186 |
| R-free | 0.22554 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mlw |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.227 |
| 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] | 47.050 | 2.020 |
| High resolution limit [Å] | 1.947 | 1.950 |
| Rmerge | 0.081 | 0.608 |
| Number of reflections | 25548 | 2405 |
| <I/σ(I)> | 10.41 | |
| Completeness [%] | 98.9 | |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 20% w/v PEG 5000 MME, 200 mM ammonium fluoride |
