4Y2L
Structure of CFA/I pili major subunit CfaB trimer
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-05 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.03319 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.266, 105.811, 70.109 |
Unit cell angles | 90.00, 114.05, 90.00 |
Refinement procedure
Resolution | 40.783 - 1.746 |
R-factor | 0.2044 |
Rwork | 0.204 |
R-free | 0.23960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f84 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.556 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1323)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.783 | 1.820 |
High resolution limit [Å] | 1.746 | 1.750 |
Rmerge | 0.527 | |
Number of reflections | 85281 | |
<I/σ(I)> | 8.3 | 1.54 |
Completeness [%] | 96.4 | 91.6 |
Redundancy | 3.3 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.1 M NaOH-citrate, pH 5.0, 20% PEG8000 |