5ALB
Ticagrelor antidote candidate MEDI2452 in complex with ticagrelor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-06-13 |
Detector | DECTRIS PILATUS |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 69.310, 173.490, 42.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.000 - 2.160 |
R-factor | 0.2162 |
Rwork | 0.214 |
R-free | 0.25920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aqk |
RMSD bond length | 0.010 |
RMSD bond angle | 1.250 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.400 | 2.050 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.100 | 1.310 |
Number of reflections | 36570 | |
<I/σ(I)> | 10.7 | 1.1 |
Completeness [%] | 99.4 | 94.9 |
Redundancy | 6.4 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |