5HBP
The crystal of rhodanese domain of YgaP treated with SNOC
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 | 2013-05-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.127 |
| Spacegroup name | P 31 |
| Unit cell lengths | 43.872, 43.872, 52.640 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.990 - 1.500 |
| R-factor | 0.17244 |
| Rwork | 0.172 |
| R-free | 0.18474 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hbl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.446 |
| 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] | 38.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.082 | 0.490 |
| Number of reflections | 16889 | |
| <I/σ(I)> | 18.7 | 1.9 |
| Completeness [%] | 93.9 | 61.5 |
| Redundancy | 4.9 | 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 |
