2CO4
Salmonella enterica SafA pilin in complex with a 19-residue SafA Nte peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 69.055, 69.055, 127.356 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.850 |
R-factor | 0.173 |
Rwork | 0.172 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2co3 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.392 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.080 | 0.310 |
Number of reflections | 16070 | |
<I/σ(I)> | 22.1 | 6.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.3 | 10.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 2 M AMMONIUM SULPHATE, 100 MM SODIUM ACETATE PH 4.6 |