9KND
Crystal structure of human ERRg LBD in complex with indole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-11-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97861 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 64.371, 64.371, 138.422 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.370 - 1.520 |
| R-factor | 0.17152 |
| Rwork | 0.169 |
| R-free | 0.21184 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.852 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.210 | 1.540 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.038 | 0.537 |
| Rmeas | 0.039 | 0.672 |
| Rpim | 0.008 | 0.394 |
| Total number of observations | 682922 | 961 |
| Number of reflections | 36519 | 411 |
| <I/σ(I)> | 51.1 | 1.8 |
| Completeness [%] | 79.3 | |
| Redundancy | 18.7 | 2.3 |
| CC(1/2) | 1.000 | 0.584 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30%(w/v) PEG 5000 MME 0.1M Tris 8.0 0.2M lithium sulfate |
