6K30
Binding pose 2 of 2-CF3 bound AsqJ complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-08-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 73.224, 118.434, 67.336 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.617 - 2.684 |
R-factor | 0.1762 |
Rwork | 0.167 |
R-free | 0.25030 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.197 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.780 |
High resolution limit [Å] | 2.680 | 2.680 |
Number of reflections | 8426 | 771 |
<I/σ(I)> | 14.9 | |
Completeness [%] | 99.8 | |
Redundancy | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 1.2M potassium sodium tartrate tetrahydrate 0.1M Tris, pH 8.5 |