9LMB
crystal structure of the F46H/L49D myoglobin mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 31.885, 52.900, 82.964 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.600 - 1.640 |
| R-factor | 0.177 |
| Rwork | 0.174 |
| R-free | 0.20430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.069 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.600 | 1.730 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.124 | 1.254 |
| Rmeas | 0.134 | |
| Rpim | 0.052 | 0.523 |
| Number of reflections | 17745 | 2527 |
| <I/σ(I)> | 16.7 | 2.7 |
| Completeness [%] | 98.7 | 97.4 |
| Redundancy | 12.4 | 12.7 |
| CC(1/2) | 0.999 | 0.828 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 286 | Sodium acetate, PEG 8000, sodium cacodylate |
