7LGK
Crystal structure of soluble guanylate cyclase activator runcaciguat (BAY 1101042) bound to nostoc H-NOX domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-14 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 123.990, 123.990, 123.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.840 - 2.200 |
| R-factor | 0.1639 |
| Rwork | 0.162 |
| R-free | 0.20730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4iam |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.437 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.840 | 2.330 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmeas | 0.140 | 1.970 |
| Number of reflections | 32542 | 3000 |
| <I/σ(I)> | 18.98 | |
| Completeness [%] | 100.0 | |
| Redundancy | 20 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris pH 8.5, 12% glycerol, and 1.5 M ammonium sulfate |
