5VNU
Nonheme Iron Replacement in a Biosynthetic Nitric Oxide Reductase Model Performing O2 Reduction to Water: Mn-bound FeBMb
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-20 |
Detector | RAYONIX MX325HE |
Wavelength(s) | 1.2 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.785, 48.422, 78.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.483 - 1.584 |
R-factor | 0.1962 |
Rwork | 0.195 |
R-free | 0.22240 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.507 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.580 |
Number of reflections | 21305 |
<I/σ(I)> | 55.85 |
Completeness [%] | 99.2 |
Redundancy | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1.5 mM protein solution in 20 mM potassium phosphate pH 7 mixed 1:1 with well buffer (0.2 M sodium acetate trihydrate, 0.1 M sodium 2-(N-morpholino)ethansulfonate (MES) pH 6.5 and 30% w/v PEG 10,000) |