6AU1
Structure of the PgaB (BpsB) glycoside hydrolase domain from Bordetella bronchiseptica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.102, 91.649, 75.295 |
| Unit cell angles | 90.00, 111.51, 90.00 |
Refinement procedure
| Resolution | 45.825 - 1.760 |
| R-factor | 0.1515 |
| Rwork | 0.151 |
| R-free | 0.16710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p7l |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.069 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_1760) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.062 | 0.249 |
| Number of reflections | 177772 | |
| <I/σ(I)> | 36.6 | 7.9 |
| Completeness [%] | 99.9 | 99.3 |
| Redundancy | 8.2 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | 0.1 M BIS-TRIS pH 6.9, 0.2 M lithium sulfate, and 1.7 M ammonium sulfate |
