7ZJQ
Human TEAD3 in complex with 1-Cyclopentyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.99980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.470, 121.660, 154.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.770 - 2.095 |
R-factor | 0.2578 |
Rwork | 0.257 |
R-free | 0.27890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5emw |
RMSD bond length | 0.008 |
RMSD bond angle | 0.960 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8 (3-FEB-2022)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.771 | 2.220 |
High resolution limit [Å] | 2.095 | 2.095 |
Rmeas | 0.095 | |
Number of reflections | 72638 | 11388 |
<I/σ(I)> | 13.6 | |
Completeness [%] | 99.2 | 97.6 |
Redundancy | 6.7 | |
CC(1/2) | 1.000 | 0.040 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 100 mM Sodium Acetate, 100 mM Calcium acetate,, 10% PEG 4000 |