4MWQ
Anhui N9-oseltamivir carboxylate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-05-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 181.878, 181.878, 181.878 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.669 - 2.000 |
R-factor | 0.1509 |
Rwork | 0.150 |
R-free | 0.17130 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.072 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.000 |
Number of reflections | 34773 |
Completeness [%] | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 0.1M MES monohydrate, 14%(w/v) Polyethylene glycol 4000, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |