5MKQ
TtuA enzyme containing a [4Fe-4S]
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) | 1.7389 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.450, 72.190, 127.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.880 - 2.790 |
| R-factor | 0.208 |
| Rwork | 0.207 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vrh |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.980 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.116 | 3.090 |
| Number of reflections | 13039 | |
| <I/σ(I)> | 15.1 | 1 |
| Completeness [%] | 99.6 | 98.8 |
| Redundancy | 18.6 | 19.8 |
| CC(1/2) | 0.602 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | Bicine 0.1 M pH9, NaCl 0.2M, DMF 2.5%, PEG 3350 12% |
