3WFC
Reduced and carbonmonoxide-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-20 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 90.672, 107.072, 196.922 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.370 - 2.500 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.23180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o0r |
RMSD bond length | 0.013 |
RMSD bond angle | 1.783 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.079 | 0.555 |
Number of reflections | 65999 | |
<I/σ(I)> | 15.457 | 2.646 |
Completeness [%] | 99.2 | 100 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 277 | 100mM sodium citrate, pH 6.0, vapor diffusion, temperature 277K |