6JIV
SspE crystal structure
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2018-06-30 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 111.070, 138.160, 293.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 125.330 - 3.310 |
| R-factor | 0.4078 |
| Rwork | 0.406 |
| R-free | 0.43500 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.496 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 125.330 | 3.500 |
| High resolution limit [Å] | 3.310 | 3.300 |
| Number of reflections | 64318 | 52096 |
| <I/σ(I)> | 8.58 | |
| Completeness [%] | 99.5 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.998 | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 287.15 | PEG MME 5000, HEPES pH 7.0, Tacsimate pH 7.0 |
