3MPB
Z5688 from E. coli O157:H7 bound to fructose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-14 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.425, 75.699, 62.022 |
| Unit cell angles | 90.00, 106.54, 90.00 |
Refinement procedure
| Resolution | 34.270 - 1.910 |
| R-factor | 0.19051 |
| Rwork | 0.188 |
| R-free | 0.23304 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kmh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.284 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.5.0109) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.081 | 0.356 |
| Number of reflections | 35627 | |
| <I/σ(I)> | 29.4 | 4 |
| Completeness [%] | 97.1 | 80.4 |
| Redundancy | 6.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.65 | 298 | 10.5% PEG 550 MME, 0.1 M Sodium acetate, 0.01 M Mannose, pH 4.65, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
