4JCH
OSH4 bound to an electrophilic oxysterol
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 | 2012-12-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97648 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.620, 65.689, 77.939 |
| Unit cell angles | 99.17, 100.17, 96.76 |
Refinement procedure
| Resolution | 19.860 - 1.700 |
| R-factor | 0.18229 |
| Rwork | 0.181 |
| R-free | 0.21473 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zhy |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.009 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 4.600 | 1.700 |
| Rmerge | 0.038 | 0.024 | 0.159 |
| Number of reflections | 103310 | ||
| <I/σ(I)> | 14.1 | ||
| Completeness [%] | 95.8 | 96.2 | 94.6 |
| Redundancy | 1.9 | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 12-14 % of PEG 20,000 in 50mM MES (pH 6.5) buffer, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
