6CFG
Crystal structure of the A/Vietnam/1203/2004 (H5N1) influenza virus hemagglutinin in complex with small molecule JNJ4796
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2016-05-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | H 3 2 |
Unit cell lengths | 102.197, 102.197, 454.053 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.399 - 2.320 |
R-factor | 0.206 |
Rwork | 0.204 |
R-free | 0.24130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fqi |
RMSD bond length | 0.008 |
RMSD bond angle | 0.894 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.360 |
High resolution limit [Å] | 2.320 | 2.320 |
Rpim | 0.020 | 0.280 |
Number of reflections | 40297 | 1773 |
<I/σ(I)> | 26.1 | 1.1 |
Completeness [%] | 99.2 | 89.5 |
Redundancy | 9.8 | 6.1 |
CC(1/2) | 0.970 | 0.880 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.2 M lithium sulfate, 20% w/v PEG3350 |