6X86
Crystal Structure of TNFalpha with indolinone compound 11
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978720 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 249.698, 64.712, 53.647 |
Unit cell angles | 90.00, 94.42, 90.00 |
Refinement procedure
Resolution | 124.480 - 2.930 |
R-factor | 0.183 |
Rwork | 0.180 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tnf |
RMSD bond length | 0.010 |
RMSD bond angle | 1.230 |
Data reduction software | XDS (20171218) |
Data scaling software | Aimless (0.7.4) |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 125.000 | 2.980 |
High resolution limit [Å] | 2.930 | 2.930 |
Rmerge | 0.075 | 0.630 |
Number of reflections | 18536 | 974 |
<I/σ(I)> | 10 | 3.8 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | 15% PEG8000, 0.2M magnesium acetate, 0.05M sodium cacadylate, pH 6.5 |