8G66
Structure with SJ3149
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 86.660, 109.710, 112.340 |
| Unit cell angles | 105.49, 94.41, 100.03 |
Refinement procedure
| Resolution | 48.250 - 3.450 |
| R-factor | 0.2153 |
| Rwork | 0.213 |
| R-free | 0.27210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.008 |
| Data reduction software | XDS |
| Data scaling software | XDS (0.7.3) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.540 |
| High resolution limit [Å] | 3.450 | 3.450 |
| Rmerge | 0.177 | |
| Rmeas | 0.204 | 0.902 |
| Number of reflections | 49793 | 3410 |
| <I/σ(I)> | 8.56 | 1.75 |
| Completeness [%] | 97.1 | 90.2 |
| Redundancy | 4.5 | 3.4 |
| CC(1/2) | 0.970 | 0.708 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 70 MM TRIS PH 7.0, 140 MM MGCL2, 7% W/V PEG 8000 |
