9KNE
Crystal structure of human ERRg LBD in complex with 5-nitroindole
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 | 2015-04-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 64.095, 64.095, 137.526 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.100 - 1.800 |
| R-factor | 0.1756 |
| Rwork | 0.173 |
| R-free | 0.22407 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.640 |
| 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] | 68.760 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.071 | 0.486 |
| Rmeas | 0.072 | 0.515 |
| Rpim | 0.015 | 0.164 |
| Total number of observations | 502415 | 7213 |
| Number of reflections | 23843 | 789 |
| <I/σ(I)> | 27.8 | 3.8 |
| Completeness [%] | 86.8 | |
| Redundancy | 21.1 | 9.1 |
| CC(1/2) | 0.999 | 0.935 |
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 |
