5HPA
The crystal of rhodanese domain of YgaP treated with sodium thiosulfate
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 | 2013-03-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.127 |
Spacegroup name | P 31 |
Unit cell lengths | 43.699, 43.699, 52.280 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.840 - 1.660 |
R-factor | 0.16845 |
Rwork | 0.167 |
R-free | 0.19740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hbo |
RMSD bond length | 0.009 |
RMSD bond angle | 1.619 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.840 | 1.750 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.037 | 0.057 |
Number of reflections | 13126 | |
<I/σ(I)> | 34.4 | 16.2 |
Completeness [%] | 98.4 | 89.3 |
Redundancy | 5.3 | 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 |