3DY9
Crystal structure of AeD7 potassium bromide soak
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) | 0.91959 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.757, 66.062, 52.387 |
| Unit cell angles | 90.00, 113.27, 90.00 |
Refinement procedure
| Resolution | 38.900 - 1.700 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.21800 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.278 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.680 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.092 | 0.576 |
| Number of reflections | 39739 | |
| <I/σ(I)> | 8.9 | 2 |
| Completeness [%] | 98.4 | 85.7 |
| Redundancy | 7.7 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 16-20% PEG-6000, 0.1 M Tris HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
