8QCH
Human Adenosine deaminase-like protein in complex with compound AT8001
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-07 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.980 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 142.757, 142.983, 156.399 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 105.530 - 2.442 |
R-factor | 0.2157 |
Rwork | 0.214 |
R-free | 0.24310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.900 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | MoRDa |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 105.752 | 2.484 |
High resolution limit [Å] | 2.442 | 2.442 |
Rmerge | 0.363 | 3.973 |
Rmeas | 0.383 | 4.180 |
Rpim | 0.119 | 1.289 |
Number of reflections | 119069 | 5876 |
<I/σ(I)> | 7.2 | 1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.2 | 10.5 |
CC(1/2) | 0.988 | 0.350 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 2000 mM Ammonium sulfate 100 mM Sodium cacodylate/HCl 200 mM Sodium chloride |