8R2J
X-ray crystallographic structure of SwaQ2 in complex with NADP+ and doxorubicin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2022-11-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.976254 |
| Spacegroup name | P 65 |
| Unit cell lengths | 87.313, 87.313, 174.382 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.080 - 2.400 |
| R-factor | 0.16353 |
| Rwork | 0.161 |
| R-free | 0.20344 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.814 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.080 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.173 | 0.774 |
| Rpim | 0.087 | 0.523 |
| Number of reflections | 27570 | 2894 |
| <I/σ(I)> | 6.9 | 2 |
| Completeness [%] | 94.2 | 93.8 |
| Redundancy | 4.1 | 4.1 |
| CC(1/2) | 0.992 | 0.722 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.67 | 277 | 0.1 M NaCacodylate pH6.67, 1M Na3-CITRATE |
