4IC1
Crystal structure of SSO0001
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.152, 197.761, 89.410 |
| Unit cell angles | 90.00, 100.88, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.350 |
| R-factor | 0.20533 |
| Rwork | 0.201 |
| R-free | 0.24870 |
| Structure solution method | SAD |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.092 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | Auto-Rickshaw |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.045 | |
| Number of reflections | 118972 | |
| <I/σ(I)> | 25.6 | |
| Completeness [%] | 97.3 | 94.5 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 295 | 25% PEG 3350, 0.1M NaCitrate, 0.2M NaCl, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 295 | 25% PEG 3350, 0.1M NaCitrate, 0.2M NaCl, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
