7KOB
Crystal structure of antigen 43b from Escherichia coli 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 | 2015-04-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 32.780, 70.890, 171.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.670 - 2.080 |
| R-factor | 0.1674 |
| Rwork | 0.166 |
| R-free | 0.20120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kh3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.847 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.7) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.670 | 36.670 | 2.140 |
| High resolution limit [Å] | 2.080 | 9.070 | 2.080 |
| Rmerge | 0.140 | 0.054 | 0.763 |
| Rmeas | 0.153 | 0.059 | 0.833 |
| Rpim | 0.060 | 0.024 | 0.327 |
| Total number of observations | 152138 | 2163 | 10466 |
| Number of reflections | 24576 | 374 | 1769 |
| <I/σ(I)> | 8.3 | 15.3 | 2.3 |
| Completeness [%] | 98.4 | 98.4 | 94.4 |
| Redundancy | 6.2 | 5.8 | 5.9 |
| CC(1/2) | 0.995 | 0.996 | 0.727 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.4 | 293 | 100 mM sodium cacodylate pH 6.4, 14% PEG 4000, 20% MPD |
