8AT8
Structure of coproporphyrin III-LmCpfC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-23 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.632, 68.069, 63.036 |
| Unit cell angles | 90.00, 102.22, 90.00 |
Refinement procedure
| Resolution | 36.780 - 1.510 |
| R-factor | 0.1478 |
| Rwork | 0.146 |
| R-free | 0.18160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rwv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.055 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.780 | 1.564 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Rmerge | 0.029 | 0.296 |
| Rmeas | 0.041 | 0.419 |
| Rpim | 0.029 | 0.296 |
| Number of reflections | 48370 | 4852 |
| <I/σ(I)> | 13.42 | 2.36 |
| Completeness [%] | 99.2 | 99.79 |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.999 | 0.854 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 18% PEG MME 2000, 0.2 M calcium acetat, 0.1 M BIS-TRIS pH 6.3 |
