5MCA
Crystal structure of FimH-LD R60P variant in the apo state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-12 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000040 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.640, 57.193, 64.566 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.812 - 1.604 |
| R-factor | 0.1484 |
| Rwork | 0.147 |
| R-free | 0.17510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4x50 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.901 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10pre_2131: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.812 | 1.700 |
| High resolution limit [Å] | 1.604 | 1.604 |
| Rmerge | 0.037 | 0.610 |
| Number of reflections | 46222 | |
| <I/σ(I)> | 27.3 | 2.1 |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 3.5 | 3.4 |
| CC(1/2) | 0.999 | 0.904 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.5 M (NH4)2SO4, 0.1M BisTris 6.5 |
