2YA7
Crystal structure of Streptococcus pneumoniae NanA (TIGR4) in complex with Zanamivir
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 | P 1 |
| Unit cell lengths | 49.856, 87.161, 126.410 |
| Unit cell angles | 104.06, 91.04, 106.68 |
Refinement procedure
| Resolution | 27.810 - 1.890 |
| R-factor | 0.20881 |
| Rwork | 0.208 |
| R-free | 0.25692 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.249 |
| 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] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.280 |
| Number of reflections | 148783 | |
| <I/σ(I)> | 20.7 | 2.5 |
| Completeness [%] | 95.1 | 92.6 |
| Redundancy | 2.1 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20% PEG 3350, 200 MM KFORMATE, 20 MM TRIS PH 7.5 . |
