8CAK
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-01 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 1.000002 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 127.476, 127.476, 71.944 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.750 - 2.670 |
R-factor | 0.2039 |
Rwork | 0.202 |
R-free | 0.24450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.935 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.760 | 47.700 | 2.800 |
High resolution limit [Å] | 2.670 | 8.000 | 2.670 |
Rmerge | 0.198 | 0.045 | 1.800 |
Rmeas | 0.207 | 0.047 | 1.000 |
Rpim | 0.061 | 0.014 | 0.554 |
Number of reflections | 19417 | 588 | 2463 |
<I/σ(I)> | 11.4 | ||
Completeness [%] | 99.6 | 99.4 | 97 |
Redundancy | 11.3 | 10.4 | 11.4 |
CC(1/2) | 0.997 | 0.999 | 0.625 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 293 | 0.3 M diethylene glycol; 0.3 M triethylene glycol, 0.3 M tetraethylene glycol, 0.3 M pentaethylene glycol, Tris-HCl 0.1 M pH 8.0, 20% (v/v) ethylene glycol, 10% (w/v) PEG8000 |