6NTF
Crystal structure of a computationally optimized H5 influenza hemagglutinin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-07-28 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 2 |
Unit cell lengths | 101.518, 101.518, 450.084 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.082 - 2.800 |
R-factor | 0.2386 |
Rwork | 0.237 |
R-free | 0.27500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fk0 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.333 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.082 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.128 | 0.315 |
Rmeas | 0.134 | 0.445 |
Rpim | 0.040 | 0.315 |
Number of reflections | 22588 | 2212 |
<I/σ(I)> | 14.73 | 1.86 |
Completeness [%] | 99.1 | 98.78 |
Redundancy | 11.1 | 2 |
CC(1/2) | 0.996 | 0.966 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 30% PEG 400, 200 mM MgCl2.6H2O, and 100 mM HEPES pH 7.5 |