3CQY
Crystal structure of a functionally unknown protein (SO_1313) from Shewanella oneidensis MR-1
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 | 2007-10-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 147.816, 147.816, 117.687 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.780 - 2.300 |
| R-factor | 0.17462 |
| Rwork | 0.173 |
| R-free | 0.21123 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.407 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.780 | 2.350 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.126 | 0.931 |
| Number of reflections | 58423 | |
| <I/σ(I)> | 29.7 | 2.5 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 13.9 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 3.5M Na formate, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
