8CAO
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with CA24
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 | 2021-09-03 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.965459 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 127.428, 127.428, 71.992 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.760 - 2.300 |
| R-factor | 0.217 |
| Rwork | 0.216 |
| R-free | 0.22640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.074 |
| 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 | 47.710 | 2.380 |
| High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
| Rmerge | 0.203 | 0.141 | 1.176 |
| Rmeas | 0.231 | 0.165 | 1.342 |
| Rpim | 0.106 | 0.082 | 0.627 |
| Total number of observations | 2324 | 12381 | |
| Number of reflections | 30148 | 564 | 2915 |
| <I/σ(I)> | 4.2 | 8.8 | 1.2 |
| Completeness [%] | 99.7 | 97.3 | 99.7 |
| Redundancy | 4.2 | 4.1 | 4.2 |
| CC(1/2) | 0.964 | 0.951 | 0.448 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.5 | 293 | MES 0.1 mM pH 6.5, 0.1 M carboxylic acids, 20% v/v ethylene glycol, 10% w/v PEG8000 |
