5HBQ
C63D mutant of the rhodanese domain of YgaP
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 | 2013-03-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.127 |
| Spacegroup name | P 31 |
| Unit cell lengths | 43.896, 43.896, 52.667 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.000 - 1.660 |
| R-factor | 0.18742 |
| Rwork | 0.186 |
| R-free | 0.22252 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hbl |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.579 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 1.750 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.068 | 0.670 |
| Number of reflections | 13404 | |
| <I/σ(I)> | 15.3 | 2 |
| Completeness [%] | 99.6 | 98 |
| Redundancy | 5.2 | 4 |
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 |
