7Q05
Crystal structure of TPADO in complex with 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 | 2021-01-27 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 61 |
Unit cell lengths | 219.714, 219.714, 82.964 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 190.278 | 2.254 |
High resolution limit [Å] | 2.078 | 2.078 |
Rmerge | 0.167 | 2.514 |
Rpim | 0.037 | 0.557 |
Number of reflections | 111025 | 5551 |
<I/σ(I)> | 14 | 1.6 |
Completeness [%] | 96.0 | 65.5 |
Redundancy | 21.3 | 21.4 |
CC(1/2) | 0.999 | 0.667 |
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 |