5FX3
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 | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-07-11 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 54.180, 54.180, 257.950 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.921 - 1.900 |
R-factor | 0.1606 |
Rwork | 0.158 |
R-free | 0.20220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4auu |
RMSD bond length | 0.010 |
RMSD bond angle | 1.114 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.920 | 2.040 |
High resolution limit [Å] | 1.820 | 1.910 |
Rmerge | 0.140 | 1.400 |
Number of reflections | 21963 | |
<I/σ(I)> | 13.27 | 2.8 |
Completeness [%] | 99.5 | 99.7 |
Redundancy | 10.3 | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.2 M SODIUM MALONATE 0.1 M BIS TRIS PROPANE PH 7.5 20 % W/V PEG 3350 |