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) |