9EZJ
Apo human TDO in complex with a bound inhibitor (Cpd-4)
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-10 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 133.793, 156.159, 90.655 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.327 - 2.612 |
R-factor | 0.2995 |
Rwork | 0.298 |
R-free | 0.33020 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.810 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.327 | 2.868 |
High resolution limit [Å] | 2.612 | 2.612 |
Rmerge | 0.269 | 1.382 |
Rmeas | 0.307 | 1.502 |
Number of reflections | 43550 | 2177 |
<I/σ(I)> | 6 | 1.5 |
Completeness [%] | 94.2 | |
Redundancy | 6.7 | 6.7 |
CC(1/2) | 0.997 | 0.685 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Morpheus 2, G11 |