9CW7
Structure of human endothelial nitric oxide synthase heme domain bound with 4-methyl-5'-((methylamino)methyl)-[2,3'-bipyridin]-6-amine dihydrochloride
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2023-02-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.946, 152.421, 108.687 |
| Unit cell angles | 90.00, 90.80, 90.00 |
Refinement procedure
| Resolution | 49.366 - 1.830 |
| R-factor | 0.191 |
| Rwork | 0.189 |
| R-free | 0.22790 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.985 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.370 | 1.860 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.100 | 1.902 |
| Rmeas | 0.113 | 2.177 |
| Rpim | 0.052 | 1.039 |
| Total number of observations | 769521 | 34160 |
| Number of reflections | 168643 | 8187 |
| <I/σ(I)> | 8.1 | 0.7 |
| Completeness [%] | 98.6 | |
| Redundancy | 4.6 | 4.2 |
| CC(1/2) | 0.996 | 0.321 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 278 | 10-12% PEG3350, 0.1M Bis-Tris, 0.2-0.3M Magnesium Acetate, 0.1M GdCl3, 10% Glycerol, 5 mM TCEP |
