4HFO
Biogenic amine-binding protein selenomethionine derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97910 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 102.164, 70.661, 108.413 |
| Unit cell angles | 90.00, 99.16, 90.00 |
Refinement procedure
| Resolution | 42.662 - 3.000 |
| R-factor | 0.3225 |
| Rwork | 0.321 |
| R-free | 0.34870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.912 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 6.460 | 3.000 |
| Rmerge | 0.100 | 0.053 | 0.382 |
| Number of reflections | 30762 | ||
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 99.7 | 99.6 | 99.5 |
| Redundancy | 8.3 | 7.9 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 298 | pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
