2D40
Crystal Structure of Z3393 from Escherichia coli O157:H7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-15 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 54.134, 76.075, 85.464 |
| Unit cell angles | 114.08, 94.93, 108.11 |
Refinement procedure
| Resolution | 34.500 - 2.410 |
| R-factor | 0.17725 |
| Rwork | 0.173 |
| R-free | 0.24936 |
| Structure solution method | SAD |
| RMSD bond length | 0.050 |
| RMSD bond angle | 3.062 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.500 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.073 | 0.234 |
| Number of reflections | 43818 | |
| <I/σ(I)> | 32 | 8 |
| Completeness [%] | 98.0 | 98 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 297 | 0.1M bisTris, 24% PEG 3350, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
