3FAW
Crystal Structure of the Group B Streptococcus Pullulanase SAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2008-06-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.949, 102.834, 172.438 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.100 |
| R-factor | 0.19576 |
| Rwork | 0.194 |
| R-free | 0.23504 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fgz |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.981 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.117 | 0.258 |
| Number of reflections | 49187 | |
| <I/σ(I)> | 8.5 | 3 |
| Completeness [%] | 95.6 | 98.1 |
| Redundancy | 2.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 30% PEG3K, 0.2M CaCl2, 0.1M HEPES, pH7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
