5IX8
Crystal structure of sugar ABC transport system, substrate-binding protein from Bordetella parapertussis 12822
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 | 2013-02-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792910 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.557, 78.719, 66.890 |
| Unit cell angles | 90.00, 104.83, 90.00 |
Refinement procedure
| Resolution | 24.983 - 1.600 |
| R-factor | 0.1415 |
| Rwork | 0.140 |
| R-free | 0.18080 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.148 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.490 |
| High resolution limit [Å] | 1.460 | 3.960 | 1.460 |
| Rmerge | 0.074 | 0.041 | 1.180 |
| Rmeas | 0.084 | 0.046 | 1.438 |
| Rpim | 0.039 | 0.022 | 0.803 |
| Total number of observations | 453878 | ||
| Number of reflections | 101987 | ||
| <I/σ(I)> | 7.5 | ||
| Completeness [%] | 99.3 | 97.6 | 95.2 |
| Redundancy | 4.5 | 4.5 | 2.6 |
| CC(1/2) | 0.993 | 0.375 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | Ammonium sulfate, Tris-Cl, PEG 3350 |
