6WN3
Structure of the Rieske non-heme iron oxygenase SxtT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-06-05 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9786 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 152.276, 159.577, 115.979 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.920 - 1.860 |
R-factor | 0.1716 |
Rwork | 0.170 |
R-free | 0.19750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gke |
RMSD bond length | 0.007 |
RMSD bond angle | 0.977 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.920 | 1.930 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.074 | 0.907 |
Number of reflections | 117637 | 11615 |
<I/σ(I)> | 25.64 | 2.36 |
Completeness [%] | 99.9 | 99.78 |
Redundancy | 7.6 | 7.5 |
CC(1/2) | 0.996 | 0.853 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 2.0 M (NH4)2SO4, 0.1 M Bis-Tris pH 6.5, 10% v/v glycerol |