7T4H
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 | 2020-02-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97869, 0.98062 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 45.820, 74.754, 74.801 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.380 - 1.510 |
R-factor | 0.169 |
Rwork | 0.167 |
R-free | 0.19100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6n4l |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.790 | 45.790 | 1.530 |
High resolution limit [Å] | 1.510 | 8.270 | 1.510 |
Rmerge | 0.067 | 0.044 | 0.839 |
Rmeas | 0.072 | 0.048 | 0.919 |
Rpim | 0.028 | 0.020 | 0.366 |
Number of reflections | 40990 | 305 | 2047 |
<I/σ(I)> | 16.5 | 41.8 | 1.8 |
Completeness [%] | 99.6 | 99.6 | 98.6 |
Redundancy | 6.5 | 5.9 | 6 |
CC(1/2) | 0.999 | 0.997 | 0.842 |
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 |