9IKA
Crystal structure of the tetrapyrrole binding domain in CoaR
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) | 0.97881 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 94.365, 101.500, 48.653 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.560 - 2.260 |
| Rwork | 0.192 |
| R-free | 0.20970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.114 |
| 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] | 34.580 | 2.340 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.104 | 0.830 |
| Rmeas | 0.110 | 0.997 |
| Rpim | 0.035 | 0.533 |
| Number of reflections | 22245 | 1421 |
| <I/σ(I)> | 15.9 | 3.5 |
| Completeness [%] | 98.4 | 87.1 |
| Redundancy | 9.6 | 3.5 |
| CC(1/2) | 0.995 | 0.220 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | (NH4)2SO4, Tris, PEG 8000 |
