1XE1
Hypothetical Protein From Pyrococcus Furiosus Pfu-880080-001
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-03-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 88.625, 88.625, 73.267 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 76.696 - 2.000 |
| R-factor | 0.22219 |
| Rwork | 0.221 |
| R-free | 0.23970 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.465 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE (2.03) |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.068 | 0.046 | 0.443 |
| Total number of observations | 1327 | 665 | |
| Number of reflections | 11239 | ||
| Completeness [%] | 93.7 | 99.5 | 57.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | modified microbatch | 6.5 | 293 | 1.6M magnesium sulfate, 0.1M MES, pH 6.5, modified microbatch, temperature 293K |
