7KQR
A 1.89-A resolution substrate-bound crystal structure of heme-dependent tyrosine hydroxylase from S. sclerotialus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-22 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.707, 129.781, 48.440 |
| Unit cell angles | 90.00, 93.87, 90.00 |
Refinement procedure
| Resolution | 48.330 - 1.890 |
| R-factor | 0.1679 |
| Rwork | 0.166 |
| R-free | 0.20730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SeMet-substituted |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.899 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
| High resolution limit [Å] | 1.890 | 5.130 | 1.890 |
| Rmerge | 0.123 | 0.058 | 0.962 |
| Rmeas | 0.145 | 0.068 | 1.148 |
| Rpim | 0.076 | 0.035 | 0.619 |
| Total number of observations | 161341 | ||
| Number of reflections | 46307 | 2372 | 2268 |
| <I/σ(I)> | 3.5 | ||
| Completeness [%] | 98.9 | 98.8 | 97.8 |
| Redundancy | 3.5 | 3.6 | 3.3 |
| CC(1/2) | 0.994 | 0.566 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1 M Bis-Tris (pH 6.1), 0.2 M MgCl2, and 16% (w/v) PEG 3350 |
