4S3L
Crystal Structure of major pilin protein PitB from type II pilus of Streptococcus pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.939 |
Spacegroup name | P 43 |
Unit cell lengths | 54.210, 54.210, 361.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.210 - 2.800 |
R-factor | 0.2422 |
Rwork | 0.239 |
R-free | 0.29770 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.339 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | autoSHARP |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.210 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.195 | 0.583 |
Number of reflections | 25595 | |
<I/σ(I)> | 5.9 | 2.1 |
Completeness [%] | 80.0 | 100 |
Redundancy | 4.8 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 3M NaCl, 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, temperature 293K |
1 | VAPOR DIFFUSION | 7 | 293 | 3M NaCl, 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, temperature 293K |