5OUZ
Metal free structure of Y40F SynFtn
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-20 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 176.920, 176.920, 176.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.340 - 2.081 |
| R-factor | 0.1563 |
| Rwork | 0.154 |
| R-free | 0.20450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eum |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.661 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.340 | |
| High resolution limit [Å] | 2.080 | |
| Rmerge | 0.076 | 0.658 |
| Rmeas | 0.077 | 0.664 |
| Rpim | 0.010 | 0.088 |
| Number of reflections | 14805 | |
| <I/σ(I)> | 46.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 56.6 | |
| CC(1/2) | 1.000 | 0.985 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1M sodium acetate 2.0 M sodium chloride pH 4.6 |
