2YA5
Crystal structure of Streptococcus pneumoniae NanA (TIGR4) in complex with sialic acid
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 | 165.272, 49.251, 125.255 |
| Unit cell angles | 90.00, 104.84, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.20979 |
| Rwork | 0.208 |
| R-free | 0.27099 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.340 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.050 | 0.240 |
| Number of reflections | 64851 | |
| <I/σ(I)> | 21.2 | 3.8 |
| Completeness [%] | 98.0 | 86.4 |
| Redundancy | 3.6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20% PEG 3350, 200MM K FORMATE, 20MM TRIS PH 7.5. |
