7KQU
A 1.58-A resolution crystal structure of ferric-hydroperoxo intermediate of L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-12-07 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97919 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.523, 129.329, 48.380 |
| Unit cell angles | 90.00, 94.03, 90.00 |
Refinement procedure
| Resolution | 45.215 - 1.579 |
| R-factor | 0.1573 |
| Rwork | 0.157 |
| R-free | 0.18870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kqr |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.861 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.610 |
| High resolution limit [Å] | 1.579 | 4.290 | 1.580 |
| Rmerge | 0.155 | 0.088 | 0.749 |
| Rmeas | 0.175 | 0.102 | 0.877 |
| Rpim | 0.081 | 0.049 | 0.448 |
| Number of reflections | 79437 | 3965 | 4000 |
| <I/σ(I)> | 4.9 | ||
| Completeness [%] | 99.8 | 97.7 | 99.9 |
| Redundancy | 4.7 | 4.7 | 3.5 |
| CC(1/2) | 0.983 | 0.627 |
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 |
