7KOH
Crystal structure of antigen 43 from Escherichia coli EDL933
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 | 2015-06-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 97.550, 178.660, 246.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.780 - 2.980 |
| R-factor | 0.2081 |
| Rwork | 0.206 |
| R-free | 0.25430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7ko9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.183 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.830 | 50.830 | 3.030 |
| High resolution limit [Å] | 2.980 | 16.050 | 2.980 |
| Rmerge | 0.483 | 0.065 | 2.594 |
| Rmeas | 0.523 | 0.072 | 2.797 |
| Rpim | 0.197 | 0.031 | 1.038 |
| Total number of observations | 551091 | 4009 | 26251 |
| Number of reflections | 86188 | 652 | 4118 |
| <I/σ(I)> | 4.6 | 14.2 | 0.9 |
| Completeness [%] | 97.3 | 97.3 | 92.2 |
| Redundancy | 6.4 | 6.1 | 6.4 |
| CC(1/2) | 0.940 | 0.853 | 0.317 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.4 | 293 | 100 mM SPG (succinic acid, sodium dihydrogen phosphate and glycine) pH 7.4, 27% PEG 1500 |
