3O0R
Crystal structure of nitric oxide reductase 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 | 2009-07-17 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 90.470, 104.520, 195.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.700 |
R-factor | 0.18828 |
Rwork | 0.185 |
R-free | 0.24739 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.913 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.514 | 41.514 | 2.850 |
High resolution limit [Å] | 2.700 | 8.540 | 2.700 |
Rmerge | 0.034 | 0.786 | |
Number of reflections | 50332 | ||
<I/σ(I)> | 8.3 | 17.8 | 1 |
Completeness [%] | 97.7 | 87.1 | 99 |
Redundancy | 4.2 | 3.8 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 24% PEG 400, 0.1M sodium citrate, 50mM sodium chloride, 20mM magnesium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 24% PEG 400, 0.1M sodium citrate, 50mM sodium chloride, 20mM magnesium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 24% PEG 400, 0.1M sodium citrate, 50mM sodium chloride, 20mM magnesium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |