8SF9
Crystal structure of the engineered SsoPox variant IG7 - Alternative state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-30 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9680 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.520, 74.960, 137.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.070 - 1.800 |
| R-factor | 0.20218 |
| Rwork | 0.200 |
| R-free | 0.23372 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.648 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.110 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.058 | 0.770 |
| Number of reflections | 202464 | 8881 |
| <I/σ(I)> | 11.34 | |
| Completeness [%] | 98.8 | |
| Redundancy | 3.43 | |
| CC(1/2) | 0.998 | 0.832 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% (w/v) PEG 8000 and Tris-HCl buffer (pH 8.5) |
