5VE4
Crystal structure of persulfide dioxygenase-rhodanese fusion protein with rhodanese domain inactivating mutation (C314S) from Burkholderia phytofirmans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 84.504, 84.504, 549.379 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.876 - 2.650 |
R-factor | 0.233 |
Rwork | 0.232 |
R-free | 0.26710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ve3 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.693 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.876 | 46.876 | 2.810 |
High resolution limit [Å] | 2.650 | 7.840 | 2.650 |
Rmerge | 0.126 | 0.047 | 1.229 |
Rmeas | 0.135 | 0.050 | 1.306 |
Total number of observations | 305449 | ||
Number of reflections | 35549 | 1609 | 5556 |
<I/σ(I)> | 11.59 | 33.59 | 1.9 |
Completeness [%] | 99.8 | 98.7 | 99.9 |
Redundancy | 8.592 | 7.283 | 8.65 |
CC(1/2) | 0.997 | 0.998 | 0.906 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1 M imidazole, pH 8.0, 0.12 M sodium chloride, 25% PEG8000 |