4TNO
Hypothetical protein PF1117 from Pyrococcus Furiosus: Structure 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 | P 41 21 2 |
Unit cell lengths | 47.210, 47.210, 82.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.948 - 2.140 |
R-factor | 0.2577 |
Rwork | 0.253 |
R-free | 0.30530 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.338 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXDE |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 2.140 | |
Rmerge | 0.034 | 0.523 |
Number of reflections | 10426 | |
<I/σ(I)> | 71.7 | 2.2 |
Completeness [%] | 97.1 | 65.2 |
Redundancy | 76.2 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 291 | 1 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN SOLUTION (10 MG/ML) AND A PRECIPITANT SOLUTION CONTAINING 0.1M SODIUM CITRATE BUFFER CONTAINING 0.1 M CHES |