4BOL
Crystal structure of AmpDh2 from Pseudomonas aeruginosa in complex with pentapeptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-11-10 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.630, 97.234, 104.169 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.912 - 1.700 |
R-factor | 0.149 |
Rwork | 0.147 |
R-free | 0.17830 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.368 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.630 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.080 | 0.940 |
Number of reflections | 54041 | |
<I/σ(I)> | 17.3 | 3.14 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.1 | 12.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 18% PEG 3350, 0.1M BISTRIS PROPANE PH7.0, 0.2M POTASSIUM THIOCYANATE |