8JNV
PfDXR - Mn2+ - MAMK89 ternary complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-09 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.637, 77.022, 111.275 |
| Unit cell angles | 90.00, 92.67, 90.00 |
Refinement procedure
| Resolution | 63.310 - 1.600 |
| R-factor | 0.16548 |
| Rwork | 0.164 |
| R-free | 0.19428 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.019 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.390 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 111671 | 5457 |
| <I/σ(I)> | 10.5 | 1.9 |
| Completeness [%] | 97.3 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.974 | 0.771 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Tris-HCl pH 8.0, 20%(w/v) PEG6000, and 0.2 M CaCl2 |
