7TQ9
Selenium-incorporated nitrogenase Fe protein (Av2-Se) from A. vinelandii (22 mM KSeCN, with Av1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97239, 0.98062 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 45.835, 74.406, 74.689 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.020 - 1.600 |
| R-factor | 0.1723 |
| Rwork | 0.171 |
| R-free | 0.19420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6n4l |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.850 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.055 | 0.902 |
| Rmeas | 0.064 | 1.070 |
| Rpim | 0.034 | 0.568 |
| Number of reflections | 34297 | 1623 |
| <I/σ(I)> | 14.1 | |
| Completeness [%] | 99.5 | 97.1 |
| Redundancy | 6.6 | 6.5 |
| CC(1/2) | 0.999 | 0.851 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 36-41% PEG400, 0.1-0.3 M sodium chloride, 0.1 M HEPES, pH 7.5, 2.5 mM dithionite, 0.17 mM Cymal-7 |
