9T54
Coproheme decarboxylase H117A mutant from Listeria monocytogenes in complex with iron coproporphyrin III
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 | 2025-09-25 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.429, 129.300, 78.651 |
| Unit cell angles | 90.00, 106.05, 90.00 |
Refinement procedure
| Resolution | 65.254 - 2.194 |
| Rwork | 0.180 |
| R-free | 0.20610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.997 |
| Data reduction software | DIALS (3.23.0-g7aff524e7-release) |
| Data scaling software | Aimless (0.8.2) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0431 (refmacat 0.4.105)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.254 | 2.268 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.325 | 2.636 |
| Rmeas | 0.350 | 2.832 |
| Rpim | 0.129 | 1.028 |
| Number of reflections | 76424 | 56392 |
| <I/σ(I)> | 6.92 | 1.16 |
| Completeness [%] | 98.5 | 96.78 |
| Redundancy | 7.2 | 7.4 |
| CC(1/2) | 0.986 | 0.405 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M Ammonium iodide 20 % w/v PEG 3350 1 mM Cyanide 5 mg/mL protein |
