8G7W
Type I modPKS reducing region
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 | 2021-12-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 204.480, 204.480, 251.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.481 - 3.400 |
| R-factor | 0.2325 |
| Rwork | 0.231 |
| R-free | 0.26070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.891 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.15.2-3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.800 | 3.580 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.200 | |
| Number of reflections | 36840 | 3424 |
| <I/σ(I)> | 14 | 0.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 27.4 | 27.9 |
| CC(1/2) | 0.990 | 0.480 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | Ammonium sulfate, Bis-Tris pH 6.5 |
