7SZF
Structure of the Rieske Non-heme Iron Oxygenase GxtA 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 | P 1 21 1 |
Unit cell lengths | 74.730, 96.932, 80.809 |
Unit cell angles | 90.00, 106.97, 90.00 |
Refinement procedure
Resolution | 46.190 - 1.790 |
R-factor | 0.1601 |
Rwork | 0.158 |
R-free | 0.19640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6wnc |
RMSD bond length | 0.007 |
RMSD bond angle | 0.897 |
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 | 0.062 | 0.723 |
Number of reflections | 202525 | 32198 |
<I/σ(I)> | 14.77 | 1.93 |
Completeness [%] | 98.2 | |
Redundancy | 3.5 | |
CC(1/2) | 0.999 | 0.737 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293.15 | 0.3 M MgCl2, 0.1 M Bis-Tris pH 5.5, 25% v/v PEG3350, 15% v/v glycerol, 20 mM beta-Saxitoxinol |