7TQI
Selenium-incorporated nitrogenase Fe protein (Av2-Se) from A. vinelandii (11 mM KSeCN)
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 | 2021-07-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97869, 0.98062 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 45.786, 74.678, 75.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.030 - 1.470 |
R-factor | 0.1771 |
Rwork | 0.176 |
R-free | 0.19770 |
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] | 45.860 | 1.500 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.079 | 1.211 |
Rmeas | 0.086 | 1.311 |
Rpim | 0.032 | 0.499 |
Number of reflections | 44627 | 2237 |
<I/σ(I)> | 16.6 | |
Completeness [%] | 99.9 | 98.9 |
Redundancy | 13.1 | 13.2 |
CC(1/2) | 0.999 | 0.909 |
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 |