7ZIH
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor AG-01-128
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 | 2015-05-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.880, 57.853, 59.268 |
| Unit cell angles | 90.00, 97.54, 90.00 |
Refinement procedure
| Resolution | 46.474 - 1.469 |
| R-factor | 0.14750510452 |
| Rwork | 0.146 |
| R-free | 0.17726 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mlw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.190 |
| 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] | 46.474 | 1.520 |
| High resolution limit [Å] | 1.469 | 1.470 |
| Rmerge | 0.055 | 0.706 |
| Number of reflections | 53487 | 5258 |
| <I/σ(I)> | 14.21 | |
| Completeness [%] | 99.7 | |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 28% w/v PEG 3350, 0.2 M NaCl |
