4DWH
Structure of the major type 1 pilus subunit FIMA bound to the FIMC (2.5 A resolution)
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 | 2012-02-20 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.99986 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 122.370, 48.810, 113.480 |
Unit cell angles | 90.00, 98.90, 90.00 |
Refinement procedure
Resolution | 45.260 - 2.500 |
R-factor | 0.2348 |
Rwork | 0.233 |
R-free | 0.29420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sqb |
RMSD bond length | 0.004 |
RMSD bond angle | 0.892 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.260 | 45.260 | 2.800 |
High resolution limit [Å] | 2.500 | 25.000 | 2.500 |
Rmerge | 0.203 | 0.052 | 0.856 |
Number of reflections | 23307 | ||
<I/σ(I)> | 12.05 | 37.66 | 3.48 |
Completeness [%] | 99.9 | 83.9 | 100 |
Redundancy | 13.4 | 13.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 40% (v/v) PEG 400 0.1 M phosphate/citrate pH 4.2 , VAPOR DIFFUSION, SITTING DROP, temperature 293K |