7Q06
Crystal structure of TPADO in complex with 2-OH-TPA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-15 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 61 |
Unit cell lengths | 220.312, 220.312, 83.175 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 190.796 | 2.057 |
High resolution limit [Å] | 1.948 | 1.948 |
Rmerge | 0.109 | 2.372 |
Rpim | 0.027 | 0.560 |
Number of reflections | 149913 | 7497 |
<I/σ(I)> | 17.9 | 1.4 |
Completeness [%] | 96.4 | 57.4 |
Redundancy | 17.3 | 18.5 |
CC(1/2) | 0.999 | 0.590 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12.5% MPD, 12.5% PEG 3350, 12.5% PEG 1000, 0.3 M sodium nitrate, 0.3 M sodium phosphate dibasic, 0.3 M ammonium sulfate, 0.1 M buffer Imidazole/MES pH 6.5 |