2VW1
Crystal structure of the NanB sialidase from Streptococcus pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | RIGAKU SATURN 944 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.597, 82.699, 117.423 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.570 - 2.390 |
R-factor | 0.196 |
Rwork | 0.192 |
R-free | 0.27800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sli |
RMSD bond length | 0.012 |
RMSD bond angle | 1.514 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.140 | 0.350 |
Number of reflections | 29767 | |
<I/σ(I)> | 6.3 | 2.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 7% PEG 8000, 0.1M IMIDAZOLE PH 8 |