5MKO
[2Fe-2S] cluster containing TtuA in complex with AMP.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2016-03-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979340 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.860, 72.320, 128.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 2.650 |
| R-factor | 0.213 |
| Rwork | 0.211 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vrh |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.720 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.096 | 4.760 |
| Number of reflections | 17292 | |
| <I/σ(I)> | 13.2 | 0.9 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 12.1 | 12.7 |
| CC(1/2) | 0.986 | 0.463 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 8% PEG 3350, 2.5% DMF, NaCl 0.2M |
