8B75
CRYSTAL STRUCTURE OF HUMAN SOLUBLE ADENYLYL CYCLASE IN COMPLEX WITH THE INHIBITOR TDI-011861
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 63 |
Unit cell lengths | 100.131, 100.131, 97.889 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.944 - 1.820 |
Rwork | 0.203 |
R-free | 0.24570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4clf |
RMSD bond length | 0.007 |
RMSD bond angle | 1.431 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.944 | 1.930 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.204 | 1.814 |
Rmeas | 0.216 | 2.240 |
Number of reflections | 47921 | 15090 |
<I/σ(I)> | 6.78 | 0.29 |
Completeness [%] | 96.0 | 77.5 |
Redundancy | 8.44 | 2.42 |
CC(1/2) | 0.994 | 0.140 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M sodiumacetate, 0.2 M trisodiumcitrate, 15% PEG4000, 10% Glycerol, 277 K |