6M30
Crystal structure of a mutant Staphylococcus equorum manganese superoxide dismutase N73F
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 | 2019-11-09 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.123, 132.504, 80.507 |
| Unit cell angles | 90.00, 110.67, 90.00 |
Refinement procedure
| Resolution | 44.840 - 1.740 |
| R-factor | 0.1649 |
| Rwork | 0.162 |
| R-free | 0.21260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x2j |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.178 |
| 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] | 46.280 | 46.280 | 1.770 |
| High resolution limit [Å] | 1.740 | 9.530 | 1.740 |
| Rmerge | 0.073 | 0.026 | 0.654 |
| Rmeas | 0.086 | 0.031 | 0.776 |
| Rpim | 0.046 | 0.016 | 0.415 |
| Total number of observations | 469453 | 3035 | 22714 |
| Number of reflections | 137152 | 857 | 6723 |
| <I/σ(I)> | 8.4 | 30.4 | 1.5 |
| Completeness [%] | 99.1 | 97.9 | 98.3 |
| Redundancy | 3.4 | 3.5 | 3.4 |
| CC(1/2) | 0.998 | 0.998 | 0.752 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Ammonium sulfate, Bis-Tris, Pentaerythritol ethoxylate |
