2F12
Crystal Structure of the Human Sialidase Neu2 in Complex with 3- hydroxypropyl ether mimetic Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-05-29 |
Detector | ADSC QUAMTUM 4r |
Wavelength(s) | 1.0000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 87.590, 87.970, 92.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.020 - 2.270 |
Rwork | 0.200 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1snt |
RMSD bond length | 0.005 |
RMSD bond angle | 1.411 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.020 | 2.350 |
High resolution limit [Å] | 2.270 | 2.270 |
Rmerge | 0.065 | 0.244 |
Number of reflections | 16808 | |
<I/σ(I)> | 15.6 | 9.9 |
Completeness [%] | 94.8 | 94 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 283 | sodium/potassium phosphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 283K |