2JKB
Crystal structure of Streptococcus pneumoniae NanB in complex with 2, 7-anhydro-Neu5Ac
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 |
| Detector | RAYONICS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.719, 82.746, 118.079 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.930 - 1.540 |
| R-factor | 0.163 |
| Rwork | 0.162 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HOMOLOGY MODEL |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.344 |
| 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] | 25.000 | 1.600 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.060 | 0.350 |
| Number of reflections | 108114 | |
| <I/σ(I)> | 19.3 | 2.6 |
| Completeness [%] | 97.1 | 81.6 |
| Redundancy | 3.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 12% PEG 6000, 200 MM TRIS PH 8.0 |
