9IJO
X-ray crystal structure of F46C myoglobin with a covalently linked 4-methyl-2,2'-bipyridine group in complex with Cu2+
This is a non-PDB format compatible entry.
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) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.989, 77.523, 39.751 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.870 - 1.530 |
| R-factor | 0.1685 |
| Rwork | 0.167 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xc9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.979 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.870 | 1.585 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.090 | 0.490 |
| Number of reflections | 22848 | 2210 |
| <I/σ(I)> | 18.08 | |
| Completeness [%] | 97.1 | 95.41 |
| Redundancy | 12.2 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | sodium acetate, PEG 8000, sodium cacodylate |
