7SZE
Structure of the Rieske Non-heme Iron Oxygenase GxtA with Saxitoxin 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 | 74.978, 96.930, 80.672 |
| Unit cell angles | 90.00, 106.91, 90.00 |
Refinement procedure
| Resolution | 46.260 - 1.740 |
| R-factor | 0.1623 |
| Rwork | 0.161 |
| R-free | 0.19650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6wnc |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.840 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmeas | 0.076 | 1.035 |
| Number of reflections | 217642 | 34931 |
| <I/σ(I)> | 16.75 | 2.05 |
| Completeness [%] | 96.9 | 96.1 |
| Redundancy | 7 | 6.8 |
| CC(1/2) | 0.999 | 0.756 |
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 STX |
