6RTE
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 | 2017-03-17 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000040 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 191.123, 54.957, 131.896 |
| Unit cell angles | 90.00, 132.42, 90.00 |
Refinement procedure
| Resolution | 51.210 - 1.940 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.19780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nir |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.773 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BALBES |
| Refinement software | PHENIX (dev_3112) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.210 | 2.010 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.158 | 2.117 |
| Rpim | 0.051 | 0.667 |
| Number of reflections | 75298 | 7445 |
| <I/σ(I)> | 11.1 | 1.5 |
| Completeness [%] | 99.9 | 99.93 |
| Redundancy | 10.6 | 10.7 |
| CC(1/2) | 0.998 | 0.563 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 11.25%(w/v) PEG8000 5.22%(w/v) PGA 200-400 0.1M Tris/HCl pH 7.8 |
