6RTD
Dihydro-heme d1 dehydrogenase NirN in complex with DHE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-13 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 191.382, 54.590, 132.135 |
| Unit cell angles | 90.00, 131.94, 90.00 |
Refinement procedure
| Resolution | 45.090 - 2.360 |
| R-factor | 0.1938 |
| Rwork | 0.192 |
| R-free | 0.23500 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.582 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | PHENIX (dev_3112) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.090 | 2.440 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.130 | 0.800 |
| Rpim | 0.053 | 0.354 |
| Number of reflections | 42328 | 4185 |
| <I/σ(I)> | 10.6 | 2.3 |
| Completeness [%] | 99.9 | 99.93 |
| Redundancy | 6.8 | 6.1 |
| CC(1/2) | 0.993 | 0.824 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 13.2%(w/v) PEG3350, 4.33% (w/v) PGA200-400 0.1 M Tris/HCl pH 7.9 |
