2YLL
Inhibition of the pneumococcal virulence factor StrH and molecular insights into N-glycan recognition and hydrolysis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS-IV |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 78.520, 109.420, 112.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.390 - 1.850 |
R-factor | 0.16316 |
Rwork | 0.161 |
R-free | 0.20033 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.137 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX (CDE) |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.090 | 0.380 |
Number of reflections | 41605 | |
<I/σ(I)> | 25.2 | 7.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 16 | 15.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |