2CO2
Salmonella enterica SafA pilin in complex with a 19-residue SafA Nte peptide (F3A mutant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector | MARRESEARCH |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 68.499, 68.499, 130.567 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.930 - 2.300 |
R-factor | 0.232 |
Rwork | 0.230 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | SAFA ANTE WT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.386 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.120 | 0.480 |
Number of reflections | 15190 | |
<I/σ(I)> | 11.5 | 2.8 |
Completeness [%] | 98.4 | 99.3 |
Redundancy | 5.4 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | pH 4.60 |