5MJD
metNgb under oxygen at 80 bar
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.8859 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 87.819, 87.819, 113.522 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.18153 |
| Rwork | 0.179 |
| R-free | 0.24172 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1oj6 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.779 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.490 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.053 | 0.475 |
| Number of reflections | 17697 | |
| <I/σ(I)> | 16 | 3.2 |
| Completeness [%] | 95.6 | 93.7 |
| Redundancy | 5.8 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.6M AMMONIUM SULPHATE, 0.1M MES,PH6.5, 10%(V/V) DIOXANE |
