9IPL
A tetrapyrrole binding domain variant of CoaR in closed conformation at 2.28 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-09 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9788 |
| Spacegroup name | P 61 |
| Unit cell lengths | 96.043, 96.043, 148.664 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.740 - 2.280 |
| R-factor | 0.20987 |
| Rwork | 0.209 |
| R-free | 0.22974 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.270 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.570 | 2.340 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.095 | 1.755 |
| Number of reflections | 35426 | 2619 |
| <I/σ(I)> | 20.5 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 20.1 | |
| CC(1/2) | 1.000 | 0.791 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 289 | Bis-Tris, (NH4)2SO4, PEG3350 |
