6PZE
Crystal structure of human NA-45 Fab in complex with neuraminidase Y169aH mutant from A/Shanghai/2/2013 (H7N9)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 161.268, 161.268, 87.382 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.786 - 2.300 |
R-factor | 0.158 |
Rwork | 0.156 |
R-free | 0.19730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5l14 5t93 5bv7 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.944 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.800 | 2.350 |
High resolution limit [Å] | 2.300 | 2.300 |
Rpim | 0.050 | 0.260 |
Number of reflections | 51133 | 3164 |
<I/σ(I)> | 11.7 | 2.1 |
Completeness [%] | 98.3 | 99.2 |
Redundancy | 6.6 | |
CC(1/2) | 0.997 | 0.962 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M Hepes, pH 7.0 and 10% (w/v) polyethylene glycol 6000 |