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 |