8COT
Complex of human soluble adenylyl cyclase 10 catalytic core with inhibitor TDI-10962
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 | 2019-01-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 63 |
Unit cell lengths | 99.314, 99.314, 98.854 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.670 - 2.100 |
R-factor | 0.1939 |
Rwork | 0.192 |
R-free | 0.23180 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.912 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.670 | 2.170 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmeas | 0.138 | |
Number of reflections | 32328 | 3183 |
<I/σ(I)> | 13.6 | |
Completeness [%] | 99.8 | |
Redundancy | 8.3 | |
CC(1/2) | 0.998 | 0.270 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.2 M tripotassium citrate, 20%(w/v) PEG 3350 |