7W6W
Crystal structure of a mutant Staphylococcus equorum manganese superoxide dismutase L169W
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-05 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.245, 136.527, 55.506 |
| Unit cell angles | 90.00, 100.91, 90.00 |
Refinement procedure
| Resolution | 42.590 - 1.940 |
| R-factor | 0.2041 |
| Rwork | 0.202 |
| R-free | 0.25570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x2j |
| RMSD bond length | 0.001 |
| RMSD bond angle | 1.630 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.510 | 45.510 | 1.990 |
| High resolution limit [Å] | 1.940 | 9.100 | 1.940 |
| Rmerge | 0.048 | 0.025 | 0.527 |
| Rmeas | 0.058 | 0.030 | 0.634 |
| Rpim | 0.032 | 0.016 | 0.349 |
| Total number of observations | 193383 | 1958 | 12821 |
| Number of reflections | 58954 | 577 | 4029 |
| <I/σ(I)> | 14.4 | 45.5 | 2.2 |
| Completeness [%] | 98.9 | 95.8 | 99.8 |
| Redundancy | 3.3 | 3.4 | 3.2 |
| CC(1/2) | 0.998 | 0.998 | 0.728 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | MPD, PEG 1000, PEG 3350, L-Na-Glutamate, Alanine, Glycine, Lysine, Serine, HEPES, MOPS |
