6AV7
Structure of human endothelial nitric oxide synthase heme domain in complex with HW69
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.445, 152.355, 108.655 |
Unit cell angles | 90.00, 90.79, 90.00 |
Refinement procedure
Resolution | 39.028 - 1.916 |
R-factor | 0.2066 |
Rwork | 0.204 |
R-free | 0.25410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dip |
RMSD bond length | 0.010 |
RMSD bond angle | 1.124 |
Data reduction software | XDS (oct 15, 2015) |
Data scaling software | Aimless (0.5.17) |
Phasing software | REFMAC (5.8.0049) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.960 |
High resolution limit [Å] | 1.916 | 1.916 |
Rmerge | 0.093 | 3.459 |
Number of reflections | 144907 | |
<I/σ(I)> | 8.6 | 0.4 |
Completeness [%] | 97.7 | 86.8 |
Redundancy | 5.8 | 5.4 |
CC(1/2) | 0.998 | 0.229 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 12-15% PEG3350, 0.1M BIS-TRIS 0.2-0.3M MG ACETATE, 0.1M GdCl3 10% glycerol, 5 MM TCEP |