7SZH
Structure of the Rieske Non-heme Iron Oxygenase SxtT with beta-saxitoxinol Bound
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 | 2019-07-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 153.282, 158.470, 115.839 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.630 - 1.790 |
R-factor | 0.1721 |
Rwork | 0.171 |
R-free | 0.19850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6wn3 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.918 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.900 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmeas | 0.068 | 1.702 |
Number of reflections | 129304 | 20590 |
<I/σ(I)> | 22.05 | 1.86 |
Completeness [%] | 98.5 | 97.8 |
Redundancy | 13.7 | 13.4 |
CC(1/2) | 1.000 | 0.815 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293.15 | 2.0 M (NH4)2SO4, 0.1 M Bis-Tris pH 6.5, 10% v/v glycerol, 20 mM beta-saxitoxin |