5FWR
Breaking down the wall: mutation of the tyrosine gate of the universal Escherichia coli fimbrial adhesin FimH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-19 |
Detector | MARRESEARCH |
Spacegroup name | P 1 |
Unit cell lengths | 53.015, 74.005, 111.768 |
Unit cell angles | 99.32, 102.97, 97.83 |
Refinement procedure
Resolution | 47.627 - 2.130 |
R-factor | 0.2303 |
Rwork | 0.225 |
R-free | 0.33180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4auu |
RMSD bond length | 0.015 |
RMSD bond angle | 1.280 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.630 | 2.260 |
High resolution limit [Å] | 2.130 | 2.130 |
Rmerge | 0.150 | 0.480 |
Number of reflections | 85074 | |
<I/σ(I)> | 6.13 | 2.57 |
Completeness [%] | 94.5 | 81.9 |
Redundancy | 2.32 | 2.32 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.8 | 5% W/V PGA-LM 100 MM TRIS PH 7.8 ; 20% W/V PEG 3350 ; 5 MM 4-BIPHENYL ALPHA-D-MANNOPYRANOSIDE |