6BEA
Crystal structure of the autotransporter UpaB from E. coli strain CFT073
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 68.611, 68.611, 165.568 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.437 - 1.970 |
| R-factor | 0.1768 |
| Rwork | 0.175 |
| R-free | 0.21850 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.896 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXDE |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.040 |
| High resolution limit [Å] | 1.970 | 4.240 | 1.970 |
| Rmerge | 0.140 | 0.056 | 0.881 |
| Number of reflections | 32914 | 3519 | 3219 |
| <I/σ(I)> | 7.5 | ||
| Completeness [%] | 99.9 | 99.9 | 99.6 |
| Redundancy | 7.4 | 7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.8 | 293.15 | 0.1 M sodium acetate, 0.2 M ammonium sulfate, 28% w/v PEG4000 |
