4GC2
Crystal structure of the bacteriocin LLPA from pseudomonas sp. in complex with GlcNAc beta(1-2)Man alpha(1-3)[GlcNAc beta(1-2)Man alpha(1-6)]Man
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2007-11-09 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8081 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 149.242, 153.031, 33.946 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.894 - 2.120 |
R-factor | 0.157 |
Rwork | 0.155 |
R-free | 0.18770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3m7h |
RMSD bond length | 0.009 |
RMSD bond angle | 1.149 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.900 | 2.170 |
High resolution limit [Å] | 2.120 | 2.120 |
Rmerge | 0.081 | |
Number of reflections | 45329 | |
Completeness [%] | 100.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M imidazole pH 6.5, 1.3 M sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |