6GKB
Iron soak 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) | 0.97949 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 176.679, 176.679, 176.679 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.465 - 1.900 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.20990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eum |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX (1.13_2998) |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.470 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.047 | 0.855 |
| Rmeas | 0.059 | 1.078 |
| Rpim | 0.036 | 0.648 |
| Number of reflections | 18124 | 1149 |
| <I/σ(I)> | 14.4 | 1.4 |
| Completeness [%] | 95.9 | 98.1 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 0.1 M sodium acetate 2.0 M sodium chloride |
