6VAH
Crystal structure of human TEAD2 transcription factor in complex with Flufenamic acid derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 120.792, 61.307, 79.862 |
Unit cell angles | 90.00, 118.10, 90.00 |
Refinement procedure
Resolution | 39.070 - 2.110 |
R-factor | 0.2055 |
Rwork | 0.203 |
R-free | 0.24250 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5dq8 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.383 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.093 | 0.050 | 0.551 |
Rmeas | 0.105 | 0.057 | 0.645 |
Rpim | 0.048 | 0.027 | 0.326 |
Total number of observations | 117595 | ||
Number of reflections | 28671 | 1467 | 1282 |
<I/σ(I)> | 9.2 | ||
Completeness [%] | 97.0 | 95.1 | 88.2 |
Redundancy | 4.1 | 4 | 2.9 |
CC(1/2) | 0.996 | 0.847 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 3.5M Na Formate, and 0.1M Bis-Tris Propane pH7.0 |