9KNC
Crystal structure of human ERRg LBD in complex with 6-nitroindole
This is a non-PDB format compatible entry.
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 | 2015-06-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 64.290, 64.290, 132.868 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.240 - 1.900 |
| R-factor | 0.19297 |
| Rwork | 0.191 |
| R-free | 0.23202 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.634 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.290 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.141 | 2.125 |
| Rmeas | 0.144 | 2.170 |
| Rpim | 0.029 | 0.432 |
| Total number of observations | 547757 | 36505 |
| Number of reflections | 22769 | 1431 |
| <I/σ(I)> | 17.2 | 4.6 |
| Completeness [%] | 99.9 | |
| Redundancy | 24.1 | 25.5 |
| CC(1/2) | 0.998 | 0.872 |
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 |
