4FES
Structure of OSH4 in complex with cholesterol analogs
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 | 51.655, 65.773, 83.028 |
Unit cell angles | 96.73, 99.62, 96.40 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.2081 |
Rwork | 0.205 |
R-free | 0.26560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4f4b |
RMSD bond length | 0.019 |
RMSD bond angle | 2.011 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.390 | 2.000 |
Rmerge | 0.069 | 0.021 | 0.350 |
Number of reflections | 69049 | ||
<I/σ(I)> | 9.1 | ||
Completeness [%] | 97.0 | 99.1 | 95.3 |
Redundancy | 1.9 | 2 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 7% PEG 20,000, 50 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |