1E5P
Crystal structure of aphrodisin, a sex pheromone from female hamster
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-09-15 |
| Detector | ADSC CCD |
| Wavelength(s) | 0.978, 0.9795, 0.9324, 0.933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.050, 48.920, 123.547 |
| Unit cell angles | 90.00, 102.63, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.630 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.23400 |
| Structure solution method | MAD |
| Starting model (for MR) | 1a3y |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.029 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.099 * | 0.310 * |
| Number of reflections | 89441 | |
| <I/σ(I)> | 7.9 | 2.1 |
| Completeness [%] | 97.1 | 94 |
| Redundancy | 2.4 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 3.8 | PEG 8K 28%, 150MM AS, 10MM NACL PH 3.8, [P]=2.65MG/NL |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 28 (%) | |
| 2 | 1 | reservoir | ammonium sulfate | 150 (mM) | |
| 3 | 1 | reservoir | sodium citrate | 100 (mM) | pH3.8 |
| 4 | 1 | drop | protein | 2.65 (mg/ml) | |
| 5 | 1 | drop | 2.5 (M) |
