7PFB
2 minute Fe2+ soaked structure of SynFtn Variant D65A
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 | 177.240, 177.240, 177.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.662 - 1.700 |
| R-factor | 0.1751 |
| Rwork | 0.174 |
| R-free | 0.19920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 5OUW |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.708 |
| 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] | 44.310 | 44.310 | 1.700 |
| High resolution limit [Å] | 1.660 | 7.430 | 1.660 |
| Rmerge | 0.092 | 0.036 | 3.829 |
| Rmeas | 0.093 | 0.037 | 3.853 |
| Rpim | 0.011 | 0.004 | 0.434 |
| Total number of observations | 2221649 | 25264 | 162799 |
| Number of reflections | 28740 | 407 | 2083 |
| <I/σ(I)> | 33.8 | 107.2 | 1.8 |
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 77.3 | 62.1 | 78.2 |
| CC(1/2) | 1.000 | 1.000 | 0.732 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 2M NaCl |
