3M7J
Crystal structure of the bacteriocin LLPA from pseudomonas sp. in complex with Met-mannose
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] | 293 |
Detector technology | CCD |
Collection date | 2008-05-10 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8073 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 148.973, 153.201, 33.914 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.644 - 2.260 |
R-factor | 0.1778 |
Rwork | 0.175 |
R-free | 0.21260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3m7h |
RMSD bond length | 0.004 |
RMSD bond angle | 0.837 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.645 | 2.340 |
High resolution limit [Å] | 2.260 | 2.260 |
Rmerge | 0.124 | 0.542 |
Number of reflections | 33688 | |
<I/σ(I)> | 7.1 | 2.6 |
Completeness [%] | 100.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M imidazole, 1.3M sodium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |