5VLI
Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-10-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.976484 |
Spacegroup name | H 3 2 |
Unit cell lengths | 110.649, 110.649, 327.378 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.345 - 1.799 |
R-factor | 0.1835 |
Rwork | 0.182 |
R-free | 0.21280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rvx |
RMSD bond length | 0.018 |
RMSD bond angle | 1.454 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.799 | 1.800 |
Rpim | 0.023 | 0.470 |
Number of reflections | 71757 | |
<I/σ(I)> | 27 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 16.1 | 14.3 |
CC(1/2) | 0.973 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277.15 | 5% PEG 3000, 30% PEG 200, 100 mM MES pH 6.0 |