6S0D
H30 MnSOD-3 Mutant II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-09 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 82.480, 82.480, 135.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.320 - 1.520 |
| R-factor | 0.1726 |
| Rwork | 0.170 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dc5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.345 |
| Data reduction software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.320 | 1.560 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.069 | |
| Number of reflections | 69925 | 460372 |
| <I/σ(I)> | 1.41 | |
| Completeness [%] | 96.5 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Ammonium sulfate, bicine |
