6SPH
A4V MUTANT OF HUMAN SUPEROXIDE DISMUTASE 1 WITH EBSELEN BOND IN C2 SPACE GROUP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-15 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.54179 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.313, 195.237, 75.348 |
| Unit cell angles | 90.00, 97.86, 90.00 |
Refinement procedure
| Resolution | 43.000 - 2.250 |
| R-factor | 0.18781 |
| Rwork | 0.186 |
| R-free | 0.22230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uxm |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.476 |
| Data reduction software | AUTOMAR |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.250 | 2.300 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.084 | 0.460 |
| Number of reflections | 70706 | 4822 |
| <I/σ(I)> | 10.3 | 1.9 |
| Completeness [%] | 97.3 | 97.7 |
| Redundancy | 3.5 | 2.3 |
| CC(1/2) | 0.996 | 0.639 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM Tris-HCl pH 7.4-8.0, 2.4-2.6 M ammonium sulphate, 150 mM NaCl |
