7P42
Crystal structure of IpgC in complex with a follow-up compound based on J2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 57.629, 57.629, 159.246 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.120 - 1.500 |
| R-factor | 0.1979 |
| Rwork | 0.197 |
| R-free | 0.21860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6scb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.780 |
| Data reduction software | XDS (1.2) |
| Data scaling software | XDS (1.2) |
| Phasing software | PHASER (7.0.047) |
| Refinement software | PHENIX (1.16) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 50346 | 7774 |
| <I/σ(I)> | 22.39 | 2.76 |
| Completeness [%] | 99.3 | |
| Redundancy | 10.7 | |
| CC(1/2) | 0.999 | 0.911 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 30 % PEG 4000, 0.1 M TRIS pH 8.0, 0.3 M magnesium chloride |
