2VCO
Crystal structure of the fimbrial adhesin FimH in complex with its high-mannose epitope
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-24 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 90.562, 90.562, 79.480 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 78.330 - 2.100 |
| R-factor | 0.187 |
| Rwork | 0.184 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uwf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.178 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.100 | 0.420 |
| Number of reflections | 279479 | |
| <I/σ(I)> | 16 | 5.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.4 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 1.0 M LI2SO4, 0.1 M TRIS-HCL PH 8.5, 0.01 M NICL2, 3% GLYCEROL |
