6ET8
Crystal structure of AlbA in complex with albicidin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 54.070, 123.350, 159.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.048 - 1.700 |
R-factor | 0.1776 |
Rwork | 0.177 |
R-free | 0.20360 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.016 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | AutoSol |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.740 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmeas | 0.110 | 1.796 |
Number of reflections | 113199 | |
<I/σ(I)> | 16.53 | 1.49 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.5 | 13.62 |
CC(1/2) | 0.669 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M Tris pH 8.5 2.0 M ammonium sulfate |