3BU1
Crystal structure of monomine-histamine complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-17 |
| Detector | SBC-3 |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.418, 56.324, 58.774 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.660 - 1.400 |
| R-factor | 0.153 |
| Rwork | 0.151 |
| R-free | 0.18000 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.053 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.660 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.046 | 0.210 |
| Number of reflections | 24335 | |
| <I/σ(I)> | 10.3 | 8.2 |
| Completeness [%] | 99.1 | 95.6 |
| Redundancy | 7.6 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 2 M Ammonium sulfate, 100 mM Tris HCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
