5FRT
Structure of the FeSII (shethna) protein of Azotobacter vinelandii
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 | 2015-12-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625, 1.73487 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 133.560, 134.530, 36.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.265 - 2.340 |
| R-factor | 0.2188 |
| Rwork | 0.217 |
| R-free | 0.25170 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.205 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX (AUTOSOL) |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.260 | 2.400 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.070 | 0.990 |
| Number of reflections | 28854 | |
| <I/σ(I)> | 15.3 | 1.4 |
| Completeness [%] | 99.8 | 98.3 |
| Redundancy | 6.2 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.1M NA HEPES PH 8.0, 0.2 M NA CITRATE, 24% W/V PEG 3350. |
