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 |