6J1L
Crystal Structure Analysis of the ROR gamma(C455E)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2017-01-05 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97852 |
Spacegroup name | P 61 |
Unit cell lengths | 110.140, 110.140, 114.231 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.606 - 2.300 |
R-factor | 0.2035 |
Rwork | 0.202 |
R-free | 0.22590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ayg |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.7.1) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.610 | 49.610 | 2.380 |
High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
Rmerge | 0.111 | 0.028 | 2.067 |
Rmeas | 0.114 | 0.029 | 2.125 |
Rpim | 0.026 | 0.007 | 0.490 |
Total number of observations | 659690 | ||
Number of reflections | 34962 | 634 | 3389 |
<I/σ(I)> | 13.2 | ||
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 18.9 | 16.2 | 18.6 |
CC(1/2) | 0.999 | 1.000 | 0.555 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG8000, 0.2M (NH4)2SO4,0.1M BisTris, PH7.2 |