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 |