4UA3
Crystal structure of selenomethionine labeled SpNatD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9788 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.701, 42.629, 85.417 |
| Unit cell angles | 90.00, 98.68, 90.00 |
Refinement procedure
| Resolution | 35.360 - 1.850 |
| R-factor | 0.182 |
| Rwork | 0.179 |
| R-free | 0.23900 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.078 |
| Data reduction software | DENZO |
| Data scaling software | HKL-3000 |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.067 | 0.595 |
| Number of reflections | 34839 | |
| <I/σ(I)> | 12.2 | |
| Completeness [%] | 99.4 | 98.7 |
| Redundancy | 17.4 | 16.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 20% PEG 3350 and 200 mM potassium formate |
