4F4B
Structure of OSH4 with a cholesterol analog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97648 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.123, 65.397, 82.314 |
| Unit cell angles | 96.56, 100.28, 95.91 |
Refinement procedure
| Resolution | 20.000 - 1.870 |
| R-factor | 0.2171 |
| Rwork | 0.214 |
| R-free | 0.27080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.030 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 80.250 | 20.000 | 1.900 |
| High resolution limit [Å] | 1.870 | 5.050 | 1.870 |
| Rmerge | 0.059 | 0.019 | 0.626 |
| Number of reflections | 81133 | ||
| <I/σ(I)> | 9.6 | ||
| Completeness [%] | 96.0 | 99.1 | 95 |
| Redundancy | 1.9 | 2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 8% PEG 20,000, 50 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
