4PZ0
The crystal structure of a solute binding protein from Bacillus anthracis str. Ames in complex with quorum-sensing signal autoinducer-2 (AI-2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.005, 58.067, 63.194 |
| Unit cell angles | 90.00, 95.58, 90.00 |
Refinement procedure
| Resolution | 23.250 - 1.250 |
| R-factor | 0.1291 |
| Rwork | 0.128 |
| R-free | 0.14880 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.103 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.500 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.069 | 0.551 |
| Number of reflections | 74237 | |
| <I/σ(I)> | 33.3 | 2.7 |
| Completeness [%] | 95.9 | 90.3 |
| Redundancy | 5 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1 M Bis-Tris-HCl, 28% w/v PEG2000 MME, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
