5N6Y
Azotobacter vinelandii vanadium nitrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 75.250, 79.790, 106.970 |
| Unit cell angles | 84.06, 72.62, 75.15 |
Refinement procedure
| Resolution | 102.040 - 1.350 |
| R-factor | 0.11064 |
| Rwork | 0.109 |
| R-free | 0.14595 |
| Structure solution method | MAD |
| RMSD bond length | 0.030 |
| RMSD bond angle | 4.057 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 102.040 | 1.390 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.062 | 1.048 |
| Rpim | 0.047 | 0.780 |
| Number of reflections | 460593 | 32710 |
| <I/σ(I)> | 10.4 | |
| Completeness [%] | 96.1 | 92.3 |
| Redundancy | 3.5 | 3.6 |
| CC(1/2) | 0.998 | 0.494 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 10-13 % (w/v) of polyethylene glycol 8000 15-20 % (v/v) of ethylene glycol 0.03 M MgCl2 0.1 mM ZnCl2 5 mM Na2S2O4 0.1 M of HEPES/NaOH pH 7.5 |
