1KIU
FimH adhesin Q133N mutant-FimC chaperone complex with methyl-alpha-D-mannose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-20 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 138.349, 138.334, 213.212 |
| Unit cell angles | 90.00, 89.98, 90.00 |
Refinement procedure
| Resolution | 45.000 - 3.000 |
| R-factor | 0.278 |
| Rwork | 0.236 |
| R-free | 0.28000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 26.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 * | 3.190 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.087 | 0.510 |
| Total number of observations | 197848 * | |
| Number of reflections | 72289 | |
| <I/σ(I)> | 10.6 | 2.1 |
| Completeness [%] | 87.1 * | 65.9 * |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.2 | 297 | used microseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4.7 (mg/ml) | |
| 2 | 1 | reservoir | methyl-alpha-D-mannopyranoside | 10 (mM) | |
| 3 | 1 | reservoir | ammonium sulfate | 0.6 (M) | |
| 4 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.2 |
