9P1E
Myoglobin variant RR22
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97001 |
| Spacegroup name | P 6 |
| Unit cell lengths | 90.311, 90.311, 45.279 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.970 - 1.150 |
| R-factor | 0.1146 |
| Rwork | 0.114 |
| R-free | 0.13620 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.013 |
| Data reduction software | XDS (Jan 10, 2022) |
| Data scaling software | Aimless (0.7.8) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.970 | 1.170 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.085 | 0.370 |
| Rpim | 0.029 | 0.178 |
| Number of reflections | 142011 | 3581 |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 99.9 | |
| Redundancy | 9.3 | 5 |
| CC(1/2) | 0.981 | 0.898 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 20 mM Tris-HCl pH 9.6, 0.1 mM EDTA, 2.2 M Ammonium Sulfate |
