6QI4
NCS-1 bound to a ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-27 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.978979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.729, 55.603, 77.725 |
Unit cell angles | 90.00, 94.97, 90.00 |
Refinement procedure
Resolution | 42.347 - 1.780 |
R-factor | 0.2145 |
Rwork | 0.213 |
R-free | 0.23180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g8i |
RMSD bond length | 0.014 |
RMSD bond angle | 1.303 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: 000)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.350 | 1.800 |
High resolution limit [Å] | 1.780 | 1.780 |
Rpim | 0.045 | 1.129 |
Number of reflections | 43813 | |
<I/σ(I)> | 8.5 | |
Completeness [%] | 99.6 | |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.1 M sodium cacodylate trihydrate pH 6.5, 0.2 M sodium acetate trihydrate, 30% (v/v) polyethylene glycol 8000 |