8W0N
IRED crystal structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 64.844, 127.698, 63.598 |
| Unit cell angles | 90.00, 109.38, 90.00 |
Refinement procedure
| Resolution | 48.500 - 1.370 |
| Rwork | 0.119 |
| R-free | 0.14380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.667 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.500 | 1.390 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Rmerge | 0.100 | 0.985 |
| Rpim | 0.023 | 0.233 |
| Number of reflections | 102543 | 4726 |
| <I/σ(I)> | 17.6 | 3.9 |
| Completeness [%] | 99.6 | 92.7 |
| Redundancy | 20.3 | 18 |
| CC(1/2) | 0.998 | 0.914 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 295 | Crystals were found in 20% PEG3350 with 200 mM sodium dihydrogen phosphate when set up in sitting drop plates with 200 nL reservoir and 200 nL of 12 mg/mL protein in SD-2 plates at room temperature. |
