3S0T
Crystal structure of the CofA Type IV pilin subunit from enterotoxigenic E. coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X26C |
Synchrotron site | NSLS |
Beamline | X26C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-24 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 1 |
Unit cell lengths | 29.500, 34.150, 64.230 |
Unit cell angles | 95.75, 97.38, 94.00 |
Refinement procedure
Resolution | 25.000 - 1.260 |
R-factor | 0.14151 |
Rwork | 0.139 |
R-free | 0.18065 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oqv |
RMSD bond length | 0.030 |
RMSD bond angle | 2.175 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.200 | 1.310 |
High resolution limit [Å] | 1.260 | 1.260 |
Rmerge | 0.067 | 0.501 |
Number of reflections | 66018 | |
<I/σ(I)> | 33.2 | 3.7 |
Completeness [%] | 96.0 | 91.8 |
Redundancy | 4.2 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 2.5 M ammonium sulfate, 4.6 uM dodecyltrimethylammonium chloride, 100 mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |