6SPA
A4V MUTANT OF HUMAN SUPEROXIDE DISMUTASE 1 IN C2 SPACE GROUP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-24 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.600, 195.960, 75.680 |
| Unit cell angles | 90.00, 97.10, 90.00 |
Refinement procedure
| Resolution | 97.980 - 1.650 |
| R-factor | 0.1702 |
| Rwork | 0.169 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uxm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.487 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.980 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.066 | 1.008 |
| Rmeas | 0.079 | 1.188 |
| Rpim | 0.042 | 0.625 |
| Number of reflections | 194504 | 9638 |
| <I/σ(I)> | 11.4 | 1.2 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.998 | 0.465 |
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 |
