7PFG
2 minute Fe2+ soaked structure of SynFtn Variant E141A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 176.750, 176.750, 176.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.549 - 1.800 |
| R-factor | 0.1781 |
| Rwork | 0.177 |
| R-free | 0.20120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 5OUW |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.681 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 53.290 | 53.290 | 1.790 |
| High resolution limit [Å] | 1.740 | 7.780 | 1.740 |
| Rmerge | 0.069 | 0.022 | 3.965 |
| Rmeas | 0.069 | 0.022 | 3.990 |
| Rpim | 0.008 | 0.003 | 0.446 |
| Total number of observations | 1953412 | 22165 | 143082 |
| Number of reflections | 24831 | 357 | 1803 |
| <I/σ(I)> | 46.1 | 184.8 | 1.7 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 78.7 | 62.1 | 79.4 |
| CC(1/2) | 1.000 | 1.000 | 0.777 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 2M NaCl |
