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 |