8R5Q
Structure of apo TDO with a bound inhibitor
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 | 2023-09-24 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.330, 132.490, 135.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 75.750 - 2.620 |
R-factor | 0.255 |
Rwork | 0.254 |
R-free | 0.26740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.850 |
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] | 94.800 | 2.860 |
High resolution limit [Å] | 2.620 | 2.620 |
Rmerge | 0.094 | 1.330 |
Rpim | 0.101 | |
Number of reflections | 39729 | 16059 |
<I/σ(I)> | 14.5 | 1.5 |
Completeness [%] | 94.8 | 58.3 |
Redundancy | 6.8 | 6.4 |
CC(1/2) | 0.610 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 5.3 mg/ml (124 uM) protein containing 2 mM AMT and 1 mM inhibitor, 12.5 % PEG 4000, 20% hexanetriol, 20 mM each of arginine, threonine, histidine, 5-hydroxylysine, trans-4-hydroxy-L-proline, 100 mM AMPD pH 8.5 |