3K38
Crystal Structure of B/Perth Neuraminidase D197E mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-05-22 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95364 |
Spacegroup name | P 1 |
Unit cell lengths | 111.155, 123.683, 123.789 |
Unit cell angles | 90.04, 90.19, 90.19 |
Refinement procedure
Resolution | 61.780 - 2.190 |
R-factor | 0.19247 |
Rwork | 0.191 |
R-free | 0.21989 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k36 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.506 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.780 | 2.320 |
High resolution limit [Å] | 2.190 | 2.200 |
Rmerge | 0.102 | 0.365 |
Number of reflections | 316772 | |
<I/σ(I)> | 8.1 | 2.6 |
Completeness [%] | 94.6 | 92.7 |
Redundancy | 2 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 281.15 | 12-17% w/v PEG 3350, 0.2-0.3M Na2 SO4, 5mM YCl3, VAPOR DIFFUSION, SITTING DROP, temperature 281.15K, PH7 |