5NTN
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 | CCD |
Collection date | 2008-01-28 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.90013 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 86.238, 69.684, 97.208 |
Unit cell angles | 90.00, 107.94, 90.00 |
Refinement procedure
Resolution | 19.920 - 1.900 |
R-factor | 0.2013 |
Rwork | 0.200 |
R-free | 0.22530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s0x |
RMSD bond length | 0.007 |
RMSD bond angle | 0.931 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
Rmerge | 0.058 | 0.029 | 0.249 |
Total number of observations | 280258 | ||
Number of reflections | 77514 | ||
<I/σ(I)> | 13.4 | ||
Completeness [%] | 89.2 | 97.9 | 43 |
Redundancy | 3.6 | 3.7 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 14% PEG 3350, 0.04M NaFormate |