5FVZ
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(2-(5-(3-(dimethylamino)propyl)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-16 |
Detector | MARRESEARCH MAR324 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.765, 106.693, 157.447 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.191 - 2.048 |
R-factor | 0.1738 |
Rwork | 0.172 |
R-free | 0.21140 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.008 |
RMSD bond angle | 1.149 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.130 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.110 | 1.500 |
Number of reflections | 61917 | |
<I/σ(I)> | 8.1 | 0.5 |
Completeness [%] | 99.5 | 93.9 |
Redundancy | 4.1 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 20-22% PEG3350 0.1M CACODYLATE, PH6.0 140-200 MM MG ACETATE 5 MM TCEP |