8CAL
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M34
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999998 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 127.241, 127.241, 71.888 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.690 - 2.410 |
| R-factor | 0.2095 |
| Rwork | 0.208 |
| R-free | 0.24040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.990 |
| 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] | 47.690 | 47.640 | 2.500 |
| High resolution limit [Å] | 2.410 | 9.010 | 2.410 |
| Rmerge | 0.137 | 0.031 | 2.681 |
| Rmeas | 0.141 | 0.032 | 2.752 |
| Rpim | 0.031 | 0.007 | 0.615 |
| Total number of observations | 10770 | 52634 | |
| Number of reflections | 26237 | 553 | 2695 |
| <I/σ(I)> | 17 | 74 | 1.4 |
| Completeness [%] | 99.9 | 99.4 | 99.4 |
| Redundancy | 20.5 | 19.5 | 19.5 |
| CC(1/2) | 0.999 | 1.000 | 0.707 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 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 |
