8QH6
Crystal structure of IpgC in complex with a follow-up compound based on J20
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-09 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 57.688, 57.688, 159.845 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.440 - 1.800 |
| R-factor | 0.1753 |
| Rwork | 0.173 |
| R-free | 0.20820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.772 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.910 |
| High resolution limit [Å] | 1.798 | 1.800 |
| Rmeas | 0.008 | 0.080 |
| Number of reflections | 29496 | 4605 |
| <I/σ(I)> | 20.3 | 2.91 |
| Completeness [%] | 99.7 | 98.5 |
| Redundancy | 11.9 | 11.7 |
| CC(1/2) | 0.999 | 0.935 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298.15 | 0.1 M Tris pH 8.0, 32% PEG 4000, 0.3 M MgCl2, seeding |
