8A2P
Room-temperature structure of the stabilised A2A-LUAA47070 complex determined by synchrotron serial crystallography
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2019-10-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96862 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 40.437, 181.839, 144.638 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 90.920 - 3.500 |
R-factor | 0.2055 |
Rwork | 0.201 |
R-free | 0.24710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5olv |
RMSD bond length | 0.008 |
RMSD bond angle | 1.466 |
Data scaling software | DIALS (1.10.1) |
Phasing software | PHASER (v3.24) |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.930 | 3.560 |
High resolution limit [Å] | 3.500 | 3.500 |
Number of reflections | 7126 | 344 |
<I/σ(I)> | 13.68 | 2.11 |
Completeness [%] | 99.6 | 100 |
Redundancy | 88.9 | 36 |
CC(1/2) | 0.973 | 0.595 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 4.5 | 293 | 0.1 M tri-sodium citrate pH 4.5, 0.05 M sodium thiocyanate, 29% (v/v) polyethylene glycol 400, 2% (v/v) 2,5-hexanediol |