9KNG
Crystal structure of human ERRg LBD in complex with 4034496
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97875 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 64.292, 64.292, 137.907 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.070 - 1.500 |
| R-factor | 0.19357 |
| Rwork | 0.192 |
| R-free | 0.23350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.932 |
| 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 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.060 | 0.889 |
| Rmeas | 0.061 | 0.921 |
| Rpim | 0.012 | 0.231 |
| Total number of observations | 1135439 | 33386 |
| Number of reflections | 47222 | 2275 |
| <I/σ(I)> | 29.3 | 2.8 |
| Completeness [%] | 99.9 | |
| Redundancy | 24 | 14.7 |
| CC(1/2) | 0.999 | 0.861 |
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 |
