5N07
Structure of the [4Fe-4S] form of the NO response regulator NsrR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.984 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 78.760, 78.760, 93.260 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.950 |
| R-factor | 0.19646 |
| Rwork | 0.195 |
| R-free | 0.22710 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.511 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.380 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.036 | 2.171 |
| Rpim | 0.016 | 0.810 |
| Number of reflections | 12994 | 1245 |
| <I/σ(I)> | 21 | 1 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 8.4 | 8.9 |
| CC(1/2) | 0.998 | 0.509 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 293 | NaCl, tetraethyleneglycol monomethyl ether, HEPES, anaerobic |
