7ZIG
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-060
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 | 2014-07-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.411, 57.899, 59.387 |
| Unit cell angles | 90.00, 98.13, 90.00 |
Refinement procedure
| Resolution | 46.935 - 1.809 |
| R-factor | 0.16980701173 |
| Rwork | 0.168 |
| R-free | 0.20634 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mlw |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.518 |
| 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] | 46.940 | 1.870 |
| High resolution limit [Å] | 1.809 | 1.810 |
| Rmerge | 0.077 | 0.631 |
| Number of reflections | 29078 | 2828 |
| <I/σ(I)> | 11.23 | |
| Completeness [%] | 99.5 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 26% w/v PEG 5000 MME, 200 mM ammonium sulfate, 100 mM Hepes-NaOH pH 7.0 |
