5BU6
Structure of BpsB deaceylase domain from Bordetella bronchiseptica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-16 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.947, 77.785, 76.861 |
| Unit cell angles | 90.00, 108.00, 90.00 |
Refinement procedure
| Resolution | 45.600 - 1.951 |
| R-factor | 0.1713 |
| Rwork | 0.169 |
| R-free | 0.20760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4f9d |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.058 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1760) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.070 | 0.546 |
| Number of reflections | 39033 | |
| <I/σ(I)> | 33 | 3.2 |
| Completeness [%] | 98.6 | 97.7 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30% PEG 2000 MME, 0.1 M potassium thiocyanate |
