7ZII
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-193
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 | 2015-07-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.970, 57.947, 59.349 |
| Unit cell angles | 90.00, 97.62, 90.00 |
Refinement procedure
| Resolution | 29.552 - 1.628 |
| R-factor | 0.168344186808 |
| Rwork | 0.167 |
| R-free | 0.19191 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mlw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.199 |
| 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] | 29.552 | 1.690 |
| High resolution limit [Å] | 1.628 | 1.630 |
| Rmerge | 0.067 | 0.724 |
| Number of reflections | 39546 | 3859 |
| <I/σ(I)> | 14.71 | |
| Completeness [%] | 99.7 | |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 20% w/v PEG 3350, 200 mM potassium formate pH 7.3 |
