6D96
Structure of influenza neuraminidase from strain A/BrevigMission/1/1918(H1N1) expressed in HEK-293E cells
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9790 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 122.681, 148.189, 127.166 |
Unit cell angles | 90.00, 94.80, 90.00 |
Refinement procedure
Resolution | 38.956 - 2.150 |
R-factor | 0.1866 |
Rwork | 0.186 |
R-free | 0.21510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3beq |
RMSD bond length | 0.009 |
RMSD bond angle | 0.970 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.7) |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.150 | 48.150 | 2.190 |
High resolution limit [Å] | 2.150 | 11.780 | 2.150 |
Rmerge | 0.241 | 0.052 | 1.183 |
Rmeas | 0.281 | 0.062 | 1.377 |
Rpim | 0.144 | 0.033 | 0.703 |
Number of reflections | 242924 | 1494 | 11945 |
<I/σ(I)> | 6.1 | ||
Completeness [%] | 99.1 | 95.6 | 98.4 |
Redundancy | 3.8 | 3.5 | 3.8 |
CC(1/2) | 0.977 | 0.993 | 0.412 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 12 % PEG 20000, 0.1 M MES (pH 6.5) |