5W6R
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141099 (P6)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2014-10-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | H 3 |
Unit cell lengths | 234.461, 234.461, 144.560 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.338 - 2.731 |
R-factor | 0.2001 |
Rwork | 0.198 |
R-free | 0.23920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ru7 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.921 |
Data reduction software | HKL-2000 (712) |
Data scaling software | HKL-2000 (712) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.730 | 2.730 |
Rpim | 0.060 | 0.470 |
Number of reflections | 76045 | 3897 |
<I/σ(I)> | 10.1 | 2 |
Completeness [%] | 97.3 | 98.8 |
Redundancy | 2.7 | 2.8 |
CC(1/2) | 0.900 | 0.580 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | HA: 11 mg/ml 2M sodium chloride 10% w/v PEG 6000 |