3BE3
Crystal structure of a protein belonging to pfam DUF1653 from Bordetella bronchiseptica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-13 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 84.728, 84.728, 44.582 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.580 - 2.040 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.23400 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.110 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.087 | 0.304 |
| Number of reflections | 12048 | |
| <I/σ(I)> | 12.2 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21.6 | 19.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.1 M HEPES pH 7.5, 2.0 M Ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
