6FEA
A. vinelandii vanadium nitrogenase, turnover state
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 | 2017-06-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 75.610, 79.750, 107.160 |
| Unit cell angles | 84.05, 72.44, 75.25 |
Refinement procedure
| Resolution | 102.120 - 1.200 |
| R-factor | 0.11827 |
| Rwork | 0.117 |
| R-free | 0.14458 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n6y |
| RMSD bond length | 0.032 |
| RMSD bond angle | 3.339 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 102.120 | 1.230 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.115 | 0.901 |
| Rpim | 0.072 | 0.686 |
| Number of reflections | 683222 | 50455 |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 6.5 | 4.3 |
| CC(1/2) | 0.998 | 0.338 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 10-13 % PEG 8000 15-20 % ethylene glycol 0.03 M MgCl2 0.1 mM ZnCl2 5 mM Na2S2O4 0.1 M HEPES/NaOH |
