5NTK
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 | 2009-07-16 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00150 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 71.102, 149.436, 44.115 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.410 - 1.900 |
R-factor | 0.2163 |
Rwork | 0.215 |
R-free | 0.24590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nti |
RMSD bond length | 0.007 |
RMSD bond angle | 0.951 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
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 | 0.044 | 0.022 | 0.398 |
Total number of observations | 136197 | ||
Number of reflections | 37469 | ||
<I/σ(I)> | 15.8 | ||
Completeness [%] | 99.4 | 96.2 | 99.9 |
Redundancy | 3.6 | 3.4 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 20% PEG 3350, 0.1M MES |