4PII
Crystal structure of hypothetical protein PF0907 from pyrococcus furiosus solved by sulfur SAD using Swiss light source data
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-30 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 2.066 |
| Spacegroup name | H 3 |
| Unit cell lengths | 98.430, 98.430, 65.230 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.215 - 2.170 |
| R-factor | 0.1788 |
| Rwork | 0.173 |
| R-free | 0.23440 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.083 |
| Data reduction software | HKL-2000 |
| Data scaling software | XSCALE |
| Phasing software | SHELXDE |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.130 |
| Rmerge | 0.047 |
| Number of reflections | 23632 |
| <I/σ(I)> | 40.45 |
| Completeness [%] | 90.4 |
| Redundancy | 15.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.3 | 291 | 0.1 M HEPES buffer containing 3.5M NaCl at pH 7.3. MODIFIED MICROBATCH, TEMPERATURE 291K |
