7KO9
Crystal structure of antigen 43 from uropathogenic Escherichia coli UTI89
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 | 2014-07-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 129.280, 132.820, 47.250 |
| Unit cell angles | 90.00, 94.13, 90.00 |
Refinement procedure
| Resolution | 39.420 - 2.430 |
| R-factor | 0.1666 |
| Rwork | 0.165 |
| R-free | 0.20850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kh3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.927 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.3.5) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.420 | 39.420 | 2.520 |
| High resolution limit [Å] | 2.430 | 9.090 | 2.430 |
| Rmerge | 0.090 | 0.026 | 0.697 |
| Rmeas | 0.105 | 0.030 | 0.813 |
| Rpim | 0.054 | 0.016 | 0.416 |
| Total number of observations | 106281 | 2146 | 11293 |
| Number of reflections | 28779 | 572 | 3008 |
| <I/σ(I)> | 9.9 | 25.4 | 2 |
| Completeness [%] | 96.3 | 96.1 | 96.1 |
| Redundancy | 3.7 | 3.8 | 3.8 |
| CC(1/2) | 0.996 | 0.999 | 0.744 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.2 | 293 | 20% 2-propanol, 100 mM trisodium citrate/citric acid pH 5.2, 20% PEG 4000 |
