5W6U
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP121068 (P2)
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] | 80 |
Detector technology | CCD |
Collection date | 2014-08-09 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | I 21 3 |
Unit cell lengths | 166.080, 166.080, 166.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.387 - 2.878 |
R-factor | 0.2338 |
Rwork | 0.233 |
R-free | 0.25170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ru7 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.582 |
Data reduction software | HKL-2000 (712) |
Data scaling software | HKL-2000 (712) |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.930 |
High resolution limit [Å] | 2.870 | 2.870 |
Rpim | 0.020 | 0.190 |
Number of reflections | 17438 | 856 |
<I/σ(I)> | 36.1 | 5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 20 | 24.8 |
CC(1/2) | 0.990 | 0.940 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | HA: 10 mg/ml 2M sodium chloride 10% w/v PEG 6000 |