3TIA
Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-08 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.928, 140.305, 89.893 |
Unit cell angles | 90.00, 101.54, 90.00 |
Refinement procedure
Resolution | 42.991 - 1.800 |
R-factor | 0.1525 |
Rwork | 0.152 |
R-free | 0.16980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ivg |
RMSD bond length | 0.006 |
RMSD bond angle | 1.127 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 201452 | |
Completeness [%] | 99.9 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | 0.1M BIS-TRIS propane(pH 9.0), 10% v/v Jeffamine ED-2001 (pH 7.0), VAPOR DIFFUSION, HANGING DROP, temperature 291K |