3D5N
Crystal structure of the Q97W15_SULSO protein from Sulfolobus solfataricus. NESG target SsR125.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97904, 0.97922, 0.96786 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.957, 169.234, 173.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.470 - 2.800 |
| R-factor | 0.231 |
| Rwork | 0.231 |
| R-free | 0.26600 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXDE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.088 | 0.986 |
| Number of reflections | 126385 | |
| <I/σ(I)> | 26.3 | 1.85 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 7.4 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 1.8 - 2.0 M sodium malonate, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
