9MQV
Crystal structure of human 1122A11 Fab in complex with influenza virus neuraminidase from A/Singapore/INFIMH-16-0019/2016 (H3N2)
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 | 2021-02-05 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 4 |
Unit cell lengths | 115.900, 115.900, 76.775 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.630 - 2.200 |
R-factor | 0.1703 |
Rwork | 0.169 |
R-free | 0.20360 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.586 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.630 | 2.250 |
High resolution limit [Å] | 2.200 | 2.200 |
Rpim | 0.040 | 0.470 |
Number of reflections | 51700 | 3381 |
<I/σ(I)> | 18.1 | 1.1 |
Completeness [%] | 99.6 | |
Redundancy | 12 | |
CC(1/2) | 0.999 | 0.536 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.2 M tri-potassium citrate and 20% (w/v) polyethylene glycol 3350 |