5HKQ
Crystal structure of CDI complex from Escherichia coli STEC_O31
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 65 |
| Unit cell lengths | 89.431, 89.431, 76.155 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.16938 |
| Rwork | 0.167 |
| R-free | 0.20761 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.487 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.117 | 0.839 |
| Number of reflections | 23397 | |
| <I/σ(I)> | 17.03 | 2.21 |
| Completeness [%] | 99.2 | 99.8 |
| Redundancy | 6.3 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 50 mM Tris/HCl pH 8.0,10.7% PEG4000, 8.6% PEG3000 |
