5NTI
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 | 2008-02-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97810 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 86.289, 70.000, 96.863 |
Unit cell angles | 90.00, 108.07, 90.00 |
Refinement procedure
Resolution | 19.940 - 2.400 |
R-factor | 0.201 |
Rwork | 0.199 |
R-free | 0.23280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fbzg |
RMSD bond length | 0.006 |
RMSD bond angle | 0.869 |
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 | 2.490 |
High resolution limit [Å] | 2.400 | 5.140 | 2.400 |
Rmerge | 0.091 | 0.050 | 0.147 |
Total number of observations | 224418 | ||
Number of reflections | 38823 | ||
<I/σ(I)> | 9.3 | ||
Completeness [%] | 89.6 | 99.9 | 45.9 |
Redundancy | 5.8 | 7.2 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 14% PEG 3350, 0.04M NaFormate |