3RX9
3D structure of SciN from an Escherichia coli Patotype
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98011 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 78.070, 78.070, 46.980 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 1.350 |
| R-factor | 0.13798 |
| Rwork | 0.137 |
| R-free | 0.15982 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CsI SAD crystal structure |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.527 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0116) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.390 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.053 | 0.311 |
| Number of reflections | 35308 | |
| <I/σ(I)> | 18.1 | 2.8 |
| Completeness [%] | 96.6 | 79.5 |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | mixing 300 nL protein at 8mg/mL with 100 nL 2.2 M AmSO4, 0.2 M Na+-thiocyanate pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
