8BI8
Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 46.196, 46.196, 51.649 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.670 - 1.590 |
R-factor | 0.211253425464 |
Rwork | 0.209 |
R-free | 0.23653 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qav |
RMSD bond length | 0.005 |
RMSD bond angle | 1.004 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.200 | 1.620 |
High resolution limit [Å] | 1.590 | 1.590 |
Rmerge | 0.049 | 0.290 |
Number of reflections | 7791 | 341 |
<I/σ(I)> | 44.2 | 10 |
Completeness [%] | 98.3 | 90.7 |
Redundancy | 25.5 | |
CC(1/2) | 0.999 | 0.987 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 25% (w/v) PEG3350, 0.1 M bis-tris, pH 5.5 |