2VW2
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 | 76.642, 82.684, 116.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.420 - 1.700 |
R-factor | 0.196 |
Rwork | 0.194 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sli |
RMSD bond length | 0.008 |
RMSD bond angle | 1.099 |
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 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.080 | 0.360 |
Number of reflections | 75667 | |
<I/σ(I)> | 8.9 | 2.2 |
Completeness [%] | 92.1 | 63 |
Redundancy | 3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 9.5 | 10% PEG 8000, 0.15M NACL, 0.1M CHES PH 9.5 |