4X50
Crystal structure of FimH in complex with biphenyl alpha-D-mannopyranoside
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-11-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00003 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.320, 69.290, 95.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.688 - 2.000 |
R-factor | 0.1759 |
Rwork | 0.174 |
R-free | 0.20160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uwf |
RMSD bond length | 0.003 |
RMSD bond angle | 1.028 |
Data reduction software | MOSFLM |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1779)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.690 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.133 | 0.350 |
Number of reflections | 27054 | |
<I/σ(I)> | 9.7 | 3.9 |
Completeness [%] | 92.7 | 99.6 |
Redundancy | 2.1 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 19% PEG 8000, 0.2 M (NH4)2SO4, 0.1 M HEPES pH 7.0. |