7PFJ
20 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) | 0.9762 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 176.670, 176.670, 176.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.531 - 1.650 |
| R-factor | 0.1513 |
| Rwork | 0.150 |
| R-free | 0.17430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ouw |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.692 |
| 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] | 62.460 | 62.460 | 1.630 |
| High resolution limit [Å] | 1.590 | 7.110 | 1.590 |
| Rmerge | 0.070 | 0.029 | 3.251 |
| Rmeas | 0.071 | 0.030 | 3.271 |
| Rpim | 0.008 | 0.004 | 0.363 |
| Total number of observations | 2536613 | 29325 | 189198 |
| Number of reflections | 32306 | 462 | 2346 |
| <I/σ(I)> | 41.8 | 154.7 | 2.1 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 78.5 | 63.5 | 80.6 |
| CC(1/2) | 1.000 | 1.000 | 0.827 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 2M NaCl |
