2YA8
Crystal structure of Streptococcus pneumoniae NanA (TIGR4) in complex with Oseltamivir carboxylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 165.754, 48.492, 125.183 |
| Unit cell angles | 90.00, 104.04, 90.00 |
Refinement procedure
| Resolution | 24.950 - 1.750 |
| R-factor | 0.18327 |
| Rwork | 0.181 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.291 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.060 | 0.440 |
| Number of reflections | 97972 | |
| <I/σ(I)> | 21.1 | 3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20% PEG 3350, 200 MM KFORMATE, 20 MM TRIS PH 7.5 . |
