8CNH
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-10512
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 | 2020-08-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 63 |
Unit cell lengths | 99.140, 99.140, 99.601 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.380 - 2.000 |
R-factor | 0.1911 |
Rwork | 0.189 |
R-free | 0.23670 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.474 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.380 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmeas | 0.255 | 4.024 |
Number of reflections | 36970 | 3263 |
<I/σ(I)> | 6.7 | |
Completeness [%] | 95.6 | 64.5 |
Redundancy | 10.4 | |
CC(1/2) | 0.994 | 0.100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.1 M sodium acetate pH 4.8, 0.2 M trisodium citrate, 15%(w/v) PEG 4000, 10%(v/v) glycerol |