5TTD
Minor pilin FctB from S. pyogenes with engineered intramolecular isopeptide bond
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-08-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 180.359, 192.093, 68.204 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.570 - 2.000 |
R-factor | 0.19602 |
Rwork | 0.194 |
R-free | 0.22991 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3KLQ and 1ANF |
RMSD bond length | 0.011 |
RMSD bond angle | 1.393 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.570 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 78932 | |
<I/σ(I)> | 10.3 | 1.6 |
Completeness [%] | 98.5 | 97.8 |
Redundancy | 7.4 | 7.4 |
CC(1/2) | 0.997 | 0.525 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 12.5% PEG 1000, 10% PEG 3350, 12.5% MPD, 0.1M MES/imidazole pH 6.5, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium L-tartrate, 0.02 M sodium oxamate |