5NTP
Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-06 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 72.310, 128.372, 46.304 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.500 - 1.700 |
| R-factor | 0.1951 |
| Rwork | 0.194 |
| R-free | 0.22740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ntk |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.937 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.500 | 19.500 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.062 | 0.701 |
| Rmeas | 0.067 | 0.761 |
| Total number of observations | 158006 | |
| Number of reflections | 24120 | |
| <I/σ(I)> | 19 | 2.7 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.6 | 6.6 |
| CC(1/2) | 0.999 | 0.819 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 30% Jeffamine ED-2001, 0.1M HEPES |
