5HBO
Native rhodanese domain of YgaP prepared without DDT is both S-nitrosylated and S-sulfhydrated
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.127 |
Spacegroup name | P 31 |
Unit cell lengths | 43.683, 43.683, 52.417 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.800 - 1.660 |
R-factor | 0.17663 |
Rwork | 0.176 |
R-free | 0.19858 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hbl |
RMSD bond length | 0.007 |
RMSD bond angle | 1.323 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.800 | 1.750 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.197 | |
Number of reflections | 13034 | |
<I/σ(I)> | 28.1 | 6.6 |
Completeness [%] | 98.6 | 91.3 |
Redundancy | 5.4 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 0.2 M sodium acetate in 0.1 M Tris HCl pH 8.5, and 30% PEG 4000. |